General Information of the Compound
| Compound ID |
CP0376773
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-benzyl-5-(2-oxochromen-6-yl)pyrrole-2-carbonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H14N2O2
|
||||||||||||||||||
| Molecular Weight |
326.355
|
||||||||||||||||||
| Canonical SMILES |
O=c1ccc2cc(ccc2o1)-c1ccc(C#N)n1Cc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H14N2O2/c22-13-18-8-9-19(23(18)14-15-4-2-1-3-5-15)16-6-10-20-17(12-16)7-11-21(24)25-20/h1-12H,14H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
YUDLUCITGSGNRY-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