General Information of the Compound
| Compound ID |
CP0432056
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[4-[[2-(3,4-dimethylphenyl)sulfanylphenyl]methyl]-5-methyl-3-phenylpyrazol-1-yl]acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H26N2O2S
|
||||||||||||||||||
| Molecular Weight |
442.584
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(Cc2ccccc2Sc2ccc(C)c(C)c2)c(nn1CC(O)=O)-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H26N2O2S/c1-18-13-14-23(15-19(18)2)32-25-12-8-7-11-22(25)16-24-20(3)29(17-26(30)31)28-27(24)21-9-5-4-6-10-21/h4-15H,16-17H2,1-3H3,(H,30,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
SPGZRHPVOYIKSX-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