General Information of the Compound
| Compound ID |
CP0397969
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL1807267
Show/Hide
|
||||||||||||||||||
| Formula |
C27H33Cl2N3O2
|
||||||||||||||||||
| Molecular Weight |
502.486
|
||||||||||||||||||
| Canonical SMILES |
CN(C)[C@H]1CC[C@@H](CC1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C1(CC1)c1ccc(Cl)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H33Cl2N3O2/c1-32(2)23-13-11-22(12-14-23)30-25(33)24(17-18-3-7-20(28)8-4-18)31-26(34)27(15-16-27)19-5-9-21(29)10-6-19/h3-10,22-24H,11-17H2,1-2H3,(H,30,33)(H,31,34)/t22-,23-,24-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
WQWVVKJIHZFVMY-WXFUMESZSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01839, Vasopressin V1a receptor
Protein ID: PT02139, Vasopressin V1a receptor