General Information of the Compound
| Compound ID |
CP0308881
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[2-(6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]isoindol-2-yl)-ethyl]-7-nitro-1H-quinazoline-2,4-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H24N4O5
|
||||||||||||||||||
| Molecular Weight |
436.468
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5cc(ccc5c4=O)[N+]([O-])=O)C[C@@H]3CCc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H24N4O5/c1-32-21-4-2-3-16-17(21)7-5-14-12-25(13-19(14)16)9-10-26-22(28)18-8-6-15(27(30)31)11-20(18)24-23(26)29/h2-4,6,8,11,14,19H,5,7,9-10,12-13H2,1H3,(H,24,29)/t14-,19+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DQSYTGKEJVGVLB-IFXJQAMLSA-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