General Information of the Compound
| Compound ID |
CP0302228
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-cyano-N-(2-(piperidin-1-yl)phenyl)-1H-pyrrole-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H18N4O
|
||||||||||||||||||
| Molecular Weight |
294.358
|
||||||||||||||||||
| Canonical SMILES |
O=C(Nc1ccccc1N1CCCCC1)c1cc(c[nH]1)C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H18N4O/c18-11-13-10-15(19-12-13)17(22)20-14-6-2-3-7-16(14)21-8-4-1-5-9-21/h2-3,6-7,10,12,19H,1,4-5,8-9H2,(H,20,22)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HTUUAZYBRLAVBE-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