7-(PIPERAZIN-1-YL)-5-(PIPERIDIN-1-YL)-1,8-NAPHTHYRIDIN-2-AMINE

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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 HKMURUKICPVQHW-UHFFFAOYSA-N
Smiles Nc1ccc2c(cc(nc2n1)N3CCNCC3)N4CCCCC4
InChI
InChI=1S/C17H24N6/c18-15-5-4-13-14(22-8-2-1-3-9-22)12-16(21-17(13)20-15)23-10-6-19-7-11-23/h4-5,12,19H,1-3,6-11H2,(H2,18,20,21)

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H24N6
Molecular Weight 312.41
AlogP 2.06
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 70.31
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 23.0

Cross References

Resources Reference
ChEMBL CHEMBL2263589
PubChem 76330400
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