 |
| Ligand Name:
(4S)-4,11-DIETHYL-4-HYDROXY-3,14-DIOXO-3,4,12,14-TETRAHYDRO-1H-PYRANO[3',4':6,7]INDOLIZINO[1,2-B]QUINOLIN-9-YL 1,4'-BIPIPERIDINE-1'-CARBOXYLATE |
| HET ID: CP0 |
PubChem:
60838
|
| DrugBank: DB00762 |
ChEMBL: CHEMBL481 |
| Canonical SMILES: CC[C@@]1(O)C(=O)OCc2c1cc1c3nc4ccc(cc4c(c3Cn1c2=O)CC)OC(=O)N1CCC(CC1)N1CCCCC1 |
| Standard InChI: InChI=1S/C33H38N4O6/c1-3-22-23-16-21(43-32(40)36-14-10-20(11-15-36)35-12-6-5-7-13-35)8-9-27(23)34-29-24(22)18-37-28(29)17-26-25(30(37)38)19-42-31(39)33(26,41)4-2/h8-9,16-17,20,41H,3-7,10-15,18-19H2,1-2H3/t33-/m0/s1 |
| Molecular Formula: C33H38N4O6 |
Mol. Weight: 586.67804 |
Heavy Atoms: 43 |
| Charge: 0 |
Is Chiral: True |
logP: 3.9669 |
| HBD: 1 |
HBA: 10 |
TPSA: 114.2 |
| #Bonds: 49 |
#Rotatable Bonds: 6 |
Shape Complexity: 0.5151515 |
| Stereocomplexity: 0.060606062 |
Ligand Type: Small Molecule |