General Information of the Compound
| Compound ID |
CP0362412
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[5-(cyclopropylmethyl)-3-[4-fluoro-3-[3-(oxetan-3-yl)but-1-ynyl]phenyl]-4-[(3-fluoro-4-sulfamoylphenyl)methyl]pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Formula |
C31H28F2N4O5S2
|
||||||||||||||||||
| Molecular Weight |
638.718
|
||||||||||||||||||
| Canonical SMILES |
CC(C#Cc1cc(ccc1F)-c1nn(c(CC2CC2)c1Cc1ccc(c(F)c1)S(N)(=O)=O)-c1nc(cs1)C(O)=O)C1COC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H28F2N4O5S2/c1-17(22-14-42-15-22)2-6-20-13-21(7-8-24(20)32)29-23(10-19-5-9-28(25(33)11-19)44(34,40)41)27(12-18-3-4-18)37(36-29)31-35-26(16-43-31)30(38)39/h5,7-9,11,13,16-18,22H,3-4,10,12,14-15H2,1H3,(H,38,39)(H2,34,40,41)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KAKHWYXRXADBMY-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