General Information of the Compound
| Compound ID |
CP0082160
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(5-Allyl-10-methoxy-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1-aza-chrysen-9-yloxy)-acetonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H26N2O3
|
||||||||||||||||||
| Molecular Weight |
402.494
|
||||||||||||||||||
| Canonical SMILES |
COc1c(OCC#N)ccc2OC(CC=C)c3c(ccc4NC(C)(C)C=C(C)c34)-c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H26N2O3/c1-6-7-18-22-16(8-9-17-21(22)15(2)14-25(3,4)27-17)23-19(30-18)10-11-20(24(23)28-5)29-13-12-26/h6,8-11,14,18,27H,1,7,13H2,2-5H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
BXRWJRAKHHVCNU-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