General Information of the Compound
| Compound ID |
CP0460753
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(1-amino-2,4-dicyanopyrido[1,2-a]benzimidazol-3-yl)-N-(2,3-dihydroxypropyl)benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H18N6O3
|
||||||||||||||||||
| Molecular Weight |
426.436
|
||||||||||||||||||
| Canonical SMILES |
Nc1c(C#N)c(-c2ccc(cc2)C(=O)NCC(O)CO)c(C#N)c2nc3ccccc3n12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H18N6O3/c24-9-16-20(13-5-7-14(8-6-13)23(32)27-11-15(31)12-30)17(10-25)22-28-18-3-1-2-4-19(18)29(22)21(16)26/h1-8,15,30-31H,11-12,26H2,(H,27,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KZJZAZSHCFZTMV-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