General Information of the Compound
| Compound ID |
CP0350146
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6,7-Dimethoxy-3-[2-(6-methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]isoindol-2-yl)-ethyl]-2,3-dihydro-1H-quinazolin-4-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H31N3O4
|
||||||||||||||||||
| Molecular Weight |
437.54
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc2[C@@H]3CN(CCN4CNc5cc(OC)c(OC)cc5C4=O)C[C@@H]3CCc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H31N3O4/c1-30-22-6-4-5-17-18(22)8-7-16-13-27(14-20(16)17)9-10-28-15-26-21-12-24(32-3)23(31-2)11-19(21)25(28)29/h4-6,11-12,16,20,26H,7-10,13-15H2,1-3H3/t16-,20+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
AXGQSWAGPJPUTJ-OXJNMPFZSA-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