General Information of the Compound
| Compound ID |
CP0210764
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-1-(4-cyanopyridin-2-yl)-N-[(1S)-1-[(3,3-difluorocyclobutyl)carbamoyl]-2,3-dihydroinden-1-yl]-N-(3,5-difluorophenyl)-5-oxopyrrolidine-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H25F4N5O3
|
||||||||||||||||||
| Molecular Weight |
591.565
|
||||||||||||||||||
| Canonical SMILES |
Fc1cc(F)cc(c1)N(C(=O)[C@@H]1CCC(=O)N1c1cc(ccn1)C#N)[C@]1(CCc2ccccc12)C(=O)NC1CC(F)(F)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H25F4N5O3/c32-20-12-21(33)14-23(13-20)40(28(42)25-5-6-27(41)39(25)26-11-18(17-36)8-10-37-26)31(9-7-19-3-1-2-4-24(19)31)29(43)38-22-15-30(34,35)16-22/h1-4,8,10-14,22,25H,5-7,9,15-16H2,(H,38,43)/t25-,31-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZHLSGVQIUSXPCO-FKAPRUDGSA-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