Structure

InChI Key ZHSKUOZOLHMKEA-UHFFFAOYSA-N
Smiles Cl.Cn1c(CCCC(=O)O)nc2cc(N(CCCl)CCCl)ccc21
InChI
InChI=1S/C16H21Cl2N3O2.ClH/c1-20-14-6-5-12(21(9-7-17)10-8-18)11-13(14)19-15(20)3-2-4-16(22)23;/h5-6,11H,2-4,7-10H2,1H3,(H,22,23);1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H22Cl3N3O2
Molecular Weight 394.73
AlogP 3.26
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 9.0
Polar Surface Area 58.36
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 23.0

Bioactivity

Mechanism of Action Action Reference
DNA inhibitor INHIBITOR FDA

Cross References

Resources Reference
ChEMBL CHEMBL1201734
FDA SRS 981Y8SX18M
PubChem 77082
SureChEMBL SCHEMBL18843