 |
| Ligand Name:
[2-(phenylamino)-1,4-phenylene]bis({4-[2-(pyrrolidin-1-yl)ethyl]piperidin-1-yl}methanone) |
| HET ID: 6P9 |
PubChem:
126480585
|
| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: O=C(c1ccc(c(c1)Nc1ccccc1)C(=O)N1CCC(CC1)CCN1CCCC1)N1CCC(CC1)CCN1CCCC1 |
| Standard InChI: InChI=1S/C36H51N5O2/c42-35(40-24-14-29(15-25-40)12-22-38-18-4-5-19-38)31-10-11-33(34(28-31)37-32-8-2-1-3-9-32)36(43)41-26-16-30(17-27-41)13-23-39-20-6-7-21-39/h1-3,8-11,28-30,37H,4-7,12-27H2 |
| Molecular Formula: C36H51N5O2 |
Mol. Weight: 585.82245 |
Heavy Atoms: 43 |
| Charge: 0 |
Is Chiral: False |
logP: 5.931 |
| HBD: 1 |
HBA: 6 |
TPSA: 59.13 |
| #Bonds: 48 |
#Rotatable Bonds: 12 |
Shape Complexity: 0.6111111 |
| Stereocomplexity: 0.0 |
Ligand Type: Small Molecule |