General Information of the Compound
| Compound ID |
CP0526829
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[4-(cyclobutylmethyl)-5-[2,3-dichloro-4-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]phenyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H25Cl2F3N2O4S2
|
||||||||||||||||||
| Molecular Weight |
573.486
|
||||||||||||||||||
| Canonical SMILES |
C[C@H](NS(=O)(=O)c1ccc(-c2sc(CC(C)(C)C(O)=O)nc2CC2CCC2)c(Cl)c1Cl)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H25Cl2F3N2O4S2/c1-11(22(25,26)27)29-35(32,33)15-8-7-13(17(23)18(15)24)19-14(9-12-5-4-6-12)28-16(34-19)10-21(2,3)20(30)31/h7-8,11-12,29H,4-6,9-10H2,1-3H3,(H,30,31)/t11-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
BNMRBSLYMNBOOG-NSHDSACASA-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