General Information of the Compound
| Compound ID |
CP0465170
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(4-methoxyphenyl)-3-methyl-5-(piperidin-1-yl)-1-o-tolyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4(5H)-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H31N3O2
|
||||||||||||||||||
| Molecular Weight |
429.564
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1)-c1c(C)c2c(CCN(N3CCCCC3)C2=O)n1-c1ccccc1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H31N3O2/c1-19-9-5-6-10-23(19)30-24-15-18-29(28-16-7-4-8-17-28)27(31)25(24)20(2)26(30)21-11-13-22(32-3)14-12-21/h5-6,9-14H,4,7-8,15-18H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
NAYVXNREEBMZNJ-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