 |
| Ligand Name:
N-[(4R)-4-(3H-imidazo[4,5-c]pyridin-2-yl)-4H-fluoren-9-yl]quinoline-5-carboxamide |
| HET ID: YKE |
PubChem:
137350193
|
| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: O=C(c1cccc2c1cccn2)NC1=c2ccccc2=C2C1=CC=CC2c1nc2c([nH]1)cncc2 |
| Standard InChI: InChI=1S/C29H19N5O/c35-29(20-8-4-12-23-17(20)11-5-14-31-23)34-27-19-7-2-1-6-18(19)26-21(27)9-3-10-22(26)28-32-24-13-15-30-16-25(24)33-28/h1-16,22H,(H,32,33)(H,34,35) |
| Molecular Formula: C29H19N5O |
Mol. Weight: 453.49405 |
Heavy Atoms: 35 |
| Charge: 0 |
Is Chiral: True |
logP: 3.8795 |
| HBD: 2 |
HBA: 5 |
TPSA: 83.56 |
| #Bonds: 42 |
#Rotatable Bonds: 4 |
Shape Complexity: 0.03448276 |
| Stereocomplexity: 0.03448276 |
Ligand Type: Small Molecule |