General Information of the Compound
| Compound ID |
CP0230507
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-Methyl-1-(3-nitro-phenylamino)-benzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H13N5O2
|
||||||||||||||||||
| Molecular Weight |
343.346
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(Nc2cccc(c2)[N+]([O-])=O)n2c(nc3ccccc23)c1C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H13N5O2/c1-12-9-18(21-13-5-4-6-14(10-13)24(25)26)23-17-8-3-2-7-16(17)22-19(23)15(12)11-20/h2-10,21H,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
DAOHMDUBKYAIEE-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
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3