General Information of the Compound
| Compound ID |
CP0168573
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[3-[2-[[cyclopentyl(phenylmethoxycarbonyl)amino]methyl]-4-(trifluoromethyl)phenyl]-4-methoxyphenyl]acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H30F3NO5
|
||||||||||||||||||
| Molecular Weight |
541.566
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(CC(O)=O)cc1-c1ccc(cc1CN(C1CCCC1)C(=O)OCc1ccccc1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H30F3NO5/c1-38-27-14-11-21(16-28(35)36)15-26(27)25-13-12-23(30(31,32)33)17-22(25)18-34(24-9-5-6-10-24)29(37)39-19-20-7-3-2-4-8-20/h2-4,7-8,11-15,17,24H,5-6,9-10,16,18-19H2,1H3,(H,35,36)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KBLKZJHMCGXNOC-UHFFFAOYSA-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