General Information of the Compound
| Compound ID |
CP0499969
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-(3-Isopropyl-2-oxo-2,3-dihydro-1H-benzoimidazol-5-yl)-1-methyl-1H-pyrrole-2-carbonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H16N4O
|
||||||||||||||||||
| Molecular Weight |
280.331
|
||||||||||||||||||
| Canonical SMILES |
CC(C)n1c2cc(ccc2[nH]c1=O)-c1ccc(C#N)n1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H16N4O/c1-10(2)20-15-8-11(4-6-13(15)18-16(20)21)14-7-5-12(9-17)19(14)3/h4-8,10H,1-3H3,(H,18,21)
Show/Hide
|
||||||||||||||||||
| InChIKey |
FTHJEIUIJLXFGP-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