General Information of the Compound
| Compound ID |
CP0458628
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[(4Z)-4-[[5-[4-chloro-3-[(3-methoxyphenyl)carbamoyl]phenyl]furan-2-yl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H22ClN3O6
|
||||||||||||||||||
| Molecular Weight |
555.974
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc(NC(=O)c2cc(ccc2Cl)-c2ccc(\C=C3\C(C)=NN(C3=O)c3ccc(cc3)C(O)=O)o2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H22ClN3O6/c1-17-24(29(36)34(33-17)21-9-6-18(7-10-21)30(37)38)16-23-11-13-27(40-23)19-8-12-26(31)25(14-19)28(35)32-20-4-3-5-22(15-20)39-2/h3-16H,1-2H3,(H,32,35)(H,37,38)/b24-16-
Show/Hide
|
||||||||||||||||||
| InChIKey |
FOVARFDBHYNANY-JLPGSUDCSA-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