General Information of the Compound
| Compound ID |
CP0469022
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(2R)-3-(4-chlorophenyl)-1-(3-hydroxypropylamino)-1-oxopropan-2-yl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H28ClFN2O3
|
||||||||||||||||||
| Molecular Weight |
446.95
|
||||||||||||||||||
| Canonical SMILES |
OCCCNC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C1(CCCC1)c1ccc(F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H28ClFN2O3/c25-19-8-4-17(5-9-19)16-21(22(30)27-14-3-15-29)28-23(31)24(12-1-2-13-24)18-6-10-20(26)11-7-18/h4-11,21,29H,1-3,12-16H2,(H,27,30)(H,28,31)/t21-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
BFOCNLAHZCLTJK-OAQYLSRUSA-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 | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| 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