General Information of the Compound
| Compound ID |
CP0465173
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(benzo[d][1,3]dioxol-5-yl)-5-cyclohexyl-1-(2,4-dichlorophenyl)-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4(5H)-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H26Cl2N2O3
|
||||||||||||||||||
| Molecular Weight |
497.422
|
||||||||||||||||||
| Canonical SMILES |
Cc1c2c(CCN(C3CCCCC3)C2=O)n(c1-c1ccc2OCOc2c1)-c1ccc(Cl)cc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H26Cl2N2O3/c1-16-25-22(11-12-30(27(25)32)19-5-3-2-4-6-19)31(21-9-8-18(28)14-20(21)29)26(16)17-7-10-23-24(13-17)34-15-33-23/h7-10,13-14,19H,2-6,11-12,15H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
SKMWEGKIKIGBSE-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