 |
| Ligand Name:
4-[[5-[7-chloranyl-3-(1~{H}-indazol-6-yl)benzotriazol-5-yl]pyrazol-1-yl]methyl]benzenecarbonitrile |
| HET ID: O1H |
PubChem:
146020618
|
| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: N#Cc1ccc(cc1)Cn1nccc1c1cc(Cl)c2c(c1)n(nn2)c1ccc2c(c1)[nH]nc2 |
| Standard InChI: InChI=1S/C24H15ClN8/c25-20-9-18(22-7-8-28-32(22)14-16-3-1-15(12-26)2-4-16)10-23-24(20)30-31-33(23)19-6-5-17-13-27-29-21(17)11-19/h1-11,13H,14H2,(H,27,29) |
| Molecular Formula: C24H15ClN8 |
Mol. Weight: 450.8825 |
Heavy Atoms: 33 |
| Charge: 0 |
Is Chiral: False |
logP: 4.73368 |
| HBD: 1 |
HBA: 7 |
TPSA: 101.0 |
| #Bonds: 39 |
#Rotatable Bonds: 4 |
Shape Complexity: 0.04347826 |
| Stereocomplexity: 0.0 |
Ligand Type: Small Molecule |