General Information of the Compound
| Compound ID |
CP0362528
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[5-(cyclopropylmethyl)-3-(4-fluoro-3-phenylphenyl)-4-[(4-sulfamoylphenyl)methyl]pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H25FN4O4S2
|
||||||||||||||||||
| Molecular Weight |
588.686
|
||||||||||||||||||
| Canonical SMILES |
NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(c2)-c2ccccc2)-c2nc(cs2)C(O)=O)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H25FN4O4S2/c31-25-13-10-21(16-23(25)20-4-2-1-3-5-20)28-24(14-18-8-11-22(12-9-18)41(32,38)39)27(15-19-6-7-19)35(34-28)30-33-26(17-40-30)29(36)37/h1-5,8-13,16-17,19H,6-7,14-15H2,(H,36,37)(H2,32,38,39)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BTZJBCHDBVCPGU-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
Protein ID: PT02629, L-lactate dehydrogenase A chain