General Information of the Compound
| Compound ID |
CP0426822
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[(2S)-1-[2-(2-fluoroanilino)-2-[4-(trifluoromethyl)phenyl]acetyl]pyrrolidin-2-yl]benzoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H22F4N2O3
|
||||||||||||||||||
| Molecular Weight |
486.465
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)c1cccc(c1)[C@@H]1CCCN1C(=O)C(Nc1ccccc1F)c1ccc(cc1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H22F4N2O3/c27-20-7-1-2-8-21(20)31-23(16-10-12-19(13-11-16)26(28,29)30)24(33)32-14-4-9-22(32)17-5-3-6-18(15-17)25(34)35/h1-3,5-8,10-13,15,22-23,31H,4,9,14H2,(H,34,35)/t22-,23?/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
BQAFKNGELRVDNI-NQCNTLBGSA-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