General Information of the Compound
| Compound ID |
CP0402866
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8754233, 4-(6-Nitro-benzothiazol-2-yl)-2H-pyrazol-3-ylamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C10H7N5O2S
|
||||||||||||||||||
| Molecular Weight |
261.266
|
||||||||||||||||||
| Canonical SMILES |
Nc1[nH]ncc1-c1nc2ccc(cc2s1)[N+]([O-])=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C10H7N5O2S/c11-9-6(4-12-14-9)10-13-7-2-1-5(15(16)17)3-8(7)18-10/h1-4H,(H3,11,12,14)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PIMULLTXNIWAMA-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