General Information of the Compound
| Compound ID |
CP0451846
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-8-[(4-methylpiperazin-1-yl)methyl]-6,11-dihydro-5H-benzo[b][1]benzazepine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H38N6
|
||||||||||||||||||
| Molecular Weight |
494.687
|
||||||||||||||||||
| Canonical SMILES |
CCc1nc2c(C)cc(C)nc2n1Cc1ccc2Nc3ccc(CN4CCN(C)CC4)cc3CCc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H38N6/c1-5-29-34-30-21(2)16-22(3)32-31(30)37(29)20-24-7-11-28-26(18-24)9-8-25-17-23(6-10-27(25)33-28)19-36-14-12-35(4)13-15-36/h6-7,10-11,16-18,33H,5,8-9,12-15,19-20H2,1-4H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
INKZQGYAHPSKHM-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