General Information of the Compound
| Compound ID |
CP0258267
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[5-(cyclopropylmethyl)-3-(4-fluoro-3-prop-1-ynylphenyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Formula |
C27H22F2N4O4S2
|
||||||||||||||||||
| Molecular Weight |
568.627
|
||||||||||||||||||
| Canonical SMILES |
CC#Cc1cc(ccc1F)-c1nn(c(CC2CC2)c1Cc1ccc(c(F)c1)S(N)(=O)=O)-c1nc(cs1)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H22F2N4O4S2/c1-2-3-17-13-18(7-8-20(17)28)25-19(10-16-6-9-24(21(29)11-16)39(30,36)37)23(12-15-4-5-15)33(32-25)27-31-22(14-38-27)26(34)35/h6-9,11,13-15H,4-5,10,12H2,1H3,(H,34,35)(H2,30,36,37)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QYUXBCSJYQOPQM-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 | |||||||||||||||||||
| 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