General Information of the Compound
| Compound ID |
CP0471798
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[5-chloro-2-[(3-fluoro-4-methoxyphenyl)carbamoyl]phenyl]-5-[[(1S)-2-methoxy-1-phenylethyl]carbamoyl]benzoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H26ClFN2O6
|
||||||||||||||||||
| Molecular Weight |
577.008
|
||||||||||||||||||
| Canonical SMILES |
COC[C@@H](NC(=O)c1ccc(c(c1)C(O)=O)-c1cc(Cl)ccc1C(=O)Nc1ccc(OC)c(F)c1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H26ClFN2O6/c1-40-17-27(18-6-4-3-5-7-18)35-29(36)19-8-11-22(25(14-19)31(38)39)24-15-20(32)9-12-23(24)30(37)34-21-10-13-28(41-2)26(33)16-21/h3-16,27H,17H2,1-2H3,(H,34,37)(H,35,36)(H,38,39)/t27-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DFAHFQHCSIKKTL-HHHXNRCGSA-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