General Information of the Compound
| Compound ID |
CP0541323
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-N-[(1S)-4-chloro-1-[(3,3-difluorocyclobutyl)carbamoyl]-2,3-dihydroinden-1-yl]-1-(4-cyanopyridin-2-yl)-N-(3-fluorophenyl)-5-oxopyrrolidine-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H25ClF3N5O3
|
||||||||||||||||||
| Molecular Weight |
608.02
|
||||||||||||||||||
| Canonical SMILES |
Fc1cccc(c1)N(C(=O)[C@@H]1CCC(=O)N1c1cc(ccn1)C#N)[C@]1(CCc2c1cccc2Cl)C(=O)NC1CC(F)(F)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H25ClF3N5O3/c32-24-6-2-5-23-22(24)9-11-31(23,29(43)38-20-15-30(34,35)16-20)40(21-4-1-3-19(33)14-21)28(42)25-7-8-27(41)39(25)26-13-18(17-36)10-12-37-26/h1-6,10,12-14,20,25H,7-9,11,15-16H2,(H,38,43)/t25-,31-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DKGLEDSJDQHPME-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