General Information of the Compound
| Compound ID |
CP0475117
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[[6-chloro-2-(dimethylamino)-1,3-benzothiazol-4-yl]methyl]-5-methylpyrazole-3-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H15ClN4O2S
|
||||||||||||||||||
| Molecular Weight |
350.831
|
||||||||||||||||||
| Canonical SMILES |
CN(C)c1nc2c(Cn3nc(cc3C)C(O)=O)cc(Cl)cc2s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H15ClN4O2S/c1-8-4-11(14(21)22)18-20(8)7-9-5-10(16)6-12-13(9)17-15(23-12)19(2)3/h4-6H,7H2,1-3H3,(H,21,22)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YQCCGACXCNMLQC-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