{N-(3,4-DIMETHOXY-2-CHLOROBENZYLIDENAMINO)-GUANIDINE}

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Molecule Category Free-form
Source Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Structure

InChI Key FGEWTNKUNGVHKT-LHHJGKSTSA-N
Smiles COc1ccc(\C=N\NC(=N)N)c(Cl)c1OC
InChI
InChI=1S/C10H13ClN4O2/c1-16-7-4-3-6(5-14-15-10(12)13)8(11)9(7)17-2/h3-5H,1-2H3,(H4,12,13,15)/b14-5+

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H13ClN4O2
Molecular Weight 256.69
AlogP 1.5
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 5.0
Polar Surface Area 92.72
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 17.0
Assay Description Organism Bioactivity Reference
Cardioprotective activity in Papio ursinus (baboon) ischaemic reperfusion injury model assessed as reduction of diastolic blood pressure at 1 mg/kg, iv after 25 min Papio ursinus 20.31 %
Cardioprotective activity in Papio ursinus (baboon) ischaemic reperfusion injury model assessed as reduction of diastolic blood pressure at 1 mg/kg, iv after 20 min Papio ursinus 31.36 %
Cardioprotective activity in Papio ursinus (baboon) ischaemic reperfusion injury model assessed as reduction of diastolic blood pressure at 1 mg/kg, iv after 15 min Papio ursinus 15.16 %
Cardioprotective activity in Papio ursinus (baboon) ischaemic reperfusion injury model assessed as reduction of diastolic blood pressure at 1 mg/kg, iv after 10 min Papio ursinus 7.58 %
Cardioprotective activity in Papio ursinus (baboon) ischaemic reperfusion injury model assessed as reduction of diastolic blood pressure at 1 mg/kg, iv after 6 min Papio ursinus 3.8 %
Cardioprotective activity in Papio ursinus (baboon) ischaemic reperfusion injury model assessed as reduction of diastolic blood pressure at 1 mg/kg, iv after 4 min Papio ursinus 2.67 %
Cardioprotective activity in Papio ursinus (baboon) ischaemic reperfusion injury model assessed as reduction of diastolic blood pressure at 1 mg/kg, iv after 2 min Papio ursinus 0.02 %
Cardioprotective activity in Papio ursinus (baboon) ischaemic reperfusion injury model assessed as reduction of diastolic blood pressure at 2 mg/kg, iv after 25 min Papio ursinus 2.78 %
Cardioprotective activity in Papio ursinus (baboon) ischaemic reperfusion injury model assessed as reduction of diastolic blood pressure at 2 mg/kg, iv after 20 min Papio ursinus 4.9 %
Cardioprotective activity in Papio ursinus (baboon) ischaemic reperfusion injury model assessed as reduction of diastolic blood pressure at 2 mg/kg, iv after 15 min Papio ursinus 2.2 %
Cardioprotective activity in Papio ursinus (baboon) ischaemic reperfusion injury model assessed as reduction of diastolic blood pressure at 2 mg/kg, iv after 10 min Papio ursinus 1.02 %
Cardioprotective activity in Papio ursinus (baboon) ischaemic reperfusion injury model assessed as reduction of diastolic blood pressure at 2 mg/kg, iv after 6 min Papio ursinus 1.78 %
Cardioprotective activity in Papio ursinus (baboon) ischaemic reperfusion injury model assessed as reduction of diastolic blood pressure at 2 mg/kg, iv after 4 min Papio ursinus 4.24 %
Cardioprotective activity in Papio ursinus (baboon) ischaemic reperfusion injury model assessed as reduction of systolic blood pressure at 1 mg/kg, iv after 25 min Papio ursinus 16.22 %
Cardioprotective activity in Papio ursinus (baboon) ischaemic reperfusion injury model assessed as reduction of diastolic blood pressure at 2 mg/kg, iv after 2 min Papio ursinus 10.1 %
Cardioprotective activity in Papio ursinus (baboon) ischaemic reperfusion injury model assessed as reduction of systolic blood pressure at 1 mg/kg, iv after 20 min Papio ursinus 10.56 %
Cardioprotective activity in Papio ursinus (baboon) ischaemic reperfusion injury model assessed as reduction of systolic blood pressure at 1 mg/kg, iv after 15 min Papio ursinus 9.36 %
Cardioprotective activity in Papio ursinus (baboon) ischaemic reperfusion injury model assessed as reduction of systolic blood pressure at 1 mg/kg, iv after 10 min Papio ursinus 3.62 %
Cardioprotective activity in Papio ursinus (baboon) ischaemic reperfusion injury model assessed as reduction of systolic blood pressure at 1 mg/kg, iv after 6 min Papio ursinus 0.26 %
Cardioprotective activity in Papio ursinus (baboon) ischaemic reperfusion injury model assessed as reduction of systolic blood pressure at 1 mg/kg, iv after 4 min Papio ursinus 0.3 %
Cardioprotective activity in Papio ursinus (baboon) ischaemic reperfusion injury model assessed as reduction of systolic blood pressure at 1 mg/kg, iv after 2 min Papio ursinus 0.02 %
Cardioprotective activity in Papio ursinus (baboon) ischaemic reperfusion injury model assessed as reduction of systolic blood pressure at 2 mg/kg, iv after 25 min Papio ursinus 9.54 %
Cardioprotective activity in Papio ursinus (baboon) ischaemic reperfusion injury model assessed as reduction of systolic blood pressure at 2 mg/kg, iv after 20 min Papio ursinus 8.48 %
Cardioprotective activity in Papio ursinus (baboon) ischaemic reperfusion injury model assessed as reduction of systolic blood pressure at 2 mg/kg, iv after 15 min Papio ursinus 6.84 %
Cardioprotective activity in Papio ursinus (baboon) ischaemic reperfusion injury model assessed as reduction of systolic blood pressure at 2 mg/kg, iv after 6 min Papio ursinus 5.72 %
Cardioprotective activity in Papio ursinus (baboon) ischaemic reperfusion injury model assessed as reduction of systolic blood pressure at 2 mg/kg, iv after 10 min Papio ursinus 7.45 %
Cardioprotective activity in Papio ursinus (baboon) ischaemic reperfusion injury model assessed as reduction of systolic blood pressure at 2 mg/kg, iv after 4 min Papio ursinus 3.1 %
Cardioprotective activity in Papio ursinus (baboon) ischaemic reperfusion injury model assessed as reduction of systolic blood pressure at 2 mg/kg, iv after 2 min Papio ursinus 5.24 %
Cardioprotective activity in Papio ursinus (baboon) ischaemic reperfusion injury model assessed as reduction of heart rate at 1 mg/kg, iv after 25 min relative to control Papio ursinus 18.28 %
Cardioprotective activity in Papio ursinus (baboon) ischaemic reperfusion injury model assessed as reduction of heart rate at 1 mg/kg, iv after 20 min relative to control Papio ursinus 15.6 %
Cardioprotective activity in Papio ursinus (baboon) ischaemic reperfusion injury model assessed as reduction of heart rate at 1 mg/kg, iv after 15 min relative to control Papio ursinus 15.47 %
Cardioprotective activity in Papio ursinus (baboon) ischaemic reperfusion injury model assessed as reduction of heart rate at 1 mg/kg, iv after 10 min relative to control Papio ursinus 15.96 %
Cardioprotective activity in Papio ursinus (baboon) ischaemic reperfusion injury model assessed as reduction of heart rate at 1 mg/kg, iv after 6 min relative to control Papio ursinus 14.6 %
Cardioprotective activity in Papio ursinus (baboon) ischaemic reperfusion injury model assessed as reduction of heart rate at 1 mg/kg, iv after 4 min relative to control Papio ursinus 10.77 %
Cardioprotective activity in Papio ursinus (baboon) ischaemic reperfusion injury model assessed as reduction of heart rate at 1 mg/kg, iv after 2 min relative to control Papio ursinus 5.33 %
Cardioprotective activity in Papio ursinus (baboon) ischaemic reperfusion injury model assessed as reduction of heart rate at 2 mg/kg, iv after 25 min relative to control Papio ursinus 27.74 %
Cardioprotective activity in Papio ursinus (baboon) ischaemic reperfusion injury model assessed as reduction of heart rate at 2 mg/kg, iv after 20 min relative to control Papio ursinus 19.52 %
Cardioprotective activity in Papio ursinus (baboon) ischaemic reperfusion injury model assessed as reduction of heart rate at 2 mg/kg, iv after 15 min relative to control Papio ursinus 19.68 %
Cardioprotective activity in Papio ursinus (baboon) ischaemic reperfusion injury model assessed as reduction of heart rate at 2 mg/kg, iv after 10 min relative to control Papio ursinus 18.88 %
Cardioprotective activity in Papio ursinus (baboon) ischaemic reperfusion injury model assessed as reduction of heart rate at 2 mg/kg, iv after 6 min relative to control Papio ursinus 18.96 %
Cardioprotective activity in Papio ursinus (baboon) ischaemic reperfusion injury model assessed as reduction of heart rate at 2 mg/kg, iv after 2 min relative to control Papio ursinus 12.95 %
Cardioprotective activity in Papio ursinus (baboon) ischaemic reperfusion injury model assessed as reduction of heart rate at 2 mg/kg, iv after 4 min relative to control Papio ursinus 17.1 %

Cross References

Resources Reference
ChEMBL CHEMBL2262186
PubChem 9816547
SureChEMBL SCHEMBL529833
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