General Information of the Compound
| Compound ID |
CP0537723
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[5-(cyclopropylmethyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-3-[3-[2-(5-propan-2-ylthiophen-2-yl)ethynyl]phenyl]pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H29FN4O4S3
|
||||||||||||||||||
| Molecular Weight |
660.818
|
||||||||||||||||||
| Canonical SMILES |
CC(C)c1ccc(s1)C#Cc1cccc(c1)-c1nn(c(CC2CC2)c1Cc1ccc(c(F)c1)S(N)(=O)=O)-c1nc(cs1)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H29FN4O4S3/c1-19(2)29-12-11-24(44-29)10-8-20-4-3-5-23(14-20)31-25(15-22-9-13-30(26(34)16-22)45(35,41)42)28(17-21-6-7-21)38(37-31)33-36-27(18-43-33)32(39)40/h3-5,9,11-14,16,18-19,21H,6-7,15,17H2,1-2H3,(H,39,40)(H2,35,41,42)
Show/Hide
|
||||||||||||||||||
| InChIKey |
IZCJJYPBJDKVSI-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