General Information of the Compound
| Compound ID |
CP0571222
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-nitro-2-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]benzonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H12N6O2
|
||||||||||||||||||
| Molecular Weight |
356.345
|
||||||||||||||||||
| Canonical SMILES |
[O-][N+](=O)c1cccc(C#N)c1Nc1ccc2[nH]nc(-c3ccncc3)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H12N6O2/c20-11-13-2-1-3-17(25(26)27)19(13)22-14-4-5-16-15(10-14)18(24-23-16)12-6-8-21-9-7-12/h1-10,22H,(H,23,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
NAIRFBBTOYEUSA-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 | |||||||||||||||||||
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