General Information of the Compound
| Compound ID |
CP0422391
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(3-chloro-5-(4-(2-fluoro-3-(trifluoromethyl)phenyl)thiazol-2-ylcarbamoyl)pyridin-2-yl)piperazine-2-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H16ClF4N5O3S
|
||||||||||||||||||
| Molecular Weight |
529.903
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)C1CN(CCN1)c1ncc(cc1Cl)C(=O)Nc1nc(cs1)-c1cccc(c1F)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H16ClF4N5O3S/c22-13-6-10(7-28-17(13)31-5-4-27-14(8-31)19(33)34)18(32)30-20-29-15(9-35-20)11-2-1-3-12(16(11)23)21(24,25)26/h1-3,6-7,9,14,27H,4-5,8H2,(H,33,34)(H,29,30,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MXODOOPIHHLFNH-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