General Information of the Compound
| Compound ID |
CP0239715
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-2-(2-chlorophenyl)-N-(3,3-difluorocyclobutyl)-2-(3-fluoro-N-[2-[(2S)-1-pyrimidin-2-ylpyrrolidin-2-yl]acetyl]anilino)acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H27ClF3N5O2
|
||||||||||||||||||
| Molecular Weight |
558.004
|
||||||||||||||||||
| Canonical SMILES |
Fc1cccc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)C[C@@H]1CCCN1c1ncccn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H27ClF3N5O2/c29-23-10-2-1-9-22(23)25(26(39)35-19-16-28(31,32)17-19)37(21-7-3-6-18(30)14-21)24(38)15-20-8-4-13-36(20)27-33-11-5-12-34-27/h1-3,5-7,9-12,14,19-20,25H,4,8,13,15-17H2,(H,35,39)/t20-,25-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
FZKFRCHROZIAMT-CPJSRVTESA-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