General Information of the Compound
| Compound ID |
CP0967549
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8754233, 4-Benzothiazol-2-yl-N3-(1H-imidazol-2-ylmethylene)-1H-pyrazole-3,5-diamine
Show/Hide
|
||||||||||||||||||
| Formula |
C14H11N7S
|
||||||||||||||||||
| Molecular Weight |
309.358
|
||||||||||||||||||
| Canonical SMILES |
Nc1[nH]nc(/N=C/c2ncc[nH]2)c1-c1nc2ccccc2s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C14H11N7S/c15-12-11(14-19-8-3-1-2-4-9(8)22-14)13(21-20-12)18-7-10-16-5-6-17-10/h1-7H,(H,16,17)(H3,15,20,21)/b18-7+
Show/Hide
|
||||||||||||||||||
| InChIKey |
PQMYUOCPSCHUSV-CNHKJKLMSA-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