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| Ligand Name:
(5aS,12aS,13aS)-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one |
| HET ID: PM7 |
PubChem:
44562783
|
| DrugBank: - |
ChEMBL: CHEMBL461324 |
| Canonical SMILES: O=C1N[C@@]23CN4[C@@]1(CCC4)C[C@H]3C(c1c(C2)c2ccccc2[nH]1)(C)C |
| Standard InChI: InChI=1S/C21H25N3O/c1-19(2)16-11-21-8-5-9-24(21)12-20(16,23-18(21)25)10-14-13-6-3-4-7-15(13)22-17(14)19/h3-4,6-7,16,22H,5,8-12H2,1-2H3,(H,23,25)/t16-,20+,21-/m0/s1 |
| Molecular Formula: C21H25N3O |
Mol. Weight: 335.4427 |
Heavy Atoms: 25 |
| Charge: 0 |
Is Chiral: True |
logP: 2.9914 |
| HBD: 2 |
HBA: 3 |
TPSA: 48.13 |
| #Bonds: 32 |
#Rotatable Bonds: 0 |
Shape Complexity: 0.5714286 |
| Stereocomplexity: 0.1904762 |
Ligand Type: Small Molecule |