General Information of the Compound
| Compound ID |
CP0534666
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[(5-chloro-2-phenyl-1,3-benzothiazol-7-yl)methyl]-5-methylpyrazole-3-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H14ClN3O2S
|
||||||||||||||||||
| Molecular Weight |
383.86
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(nn1Cc1cc(Cl)cc2nc(sc12)-c1ccccc1)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H14ClN3O2S/c1-11-7-16(19(24)25)22-23(11)10-13-8-14(20)9-15-17(13)26-18(21-15)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,24,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WBKJAHNQOMNMBF-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