General Information of the Compound
| Compound ID |
CP0539167
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[5-(cyclopropylmethyl)-3-[3-[(E)-3,3-dimethylbut-1-enyl]-4-fluorophenyl]-4-[(3-fluoro-4-sulfamoylphenyl)methyl]pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Formula |
C30H30F2N4O4S2
|
||||||||||||||||||
| Molecular Weight |
612.724
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)\C=C\c1cc(ccc1F)-c1nn(c(CC2CC2)c1Cc1ccc(c(F)c1)S(N)(=O)=O)-c1nc(cs1)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H30F2N4O4S2/c1-30(2,3)11-10-19-15-20(7-8-22(19)31)27-21(12-18-6-9-26(23(32)13-18)42(33,39)40)25(14-17-4-5-17)36(35-27)29-34-24(16-41-29)28(37)38/h6-11,13,15-17H,4-5,12,14H2,1-3H3,(H,37,38)(H2,33,39,40)/b11-10+
Show/Hide
|
||||||||||||||||||
| InChIKey |
GOLPRMYLOHXAMC-ZHACJKMWSA-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