General Information of the Compound
| Compound ID |
CP0076637
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
10-Methoxy-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1-aza-chrysene
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H21NO2
|
||||||||||||||||||
| Molecular Weight |
307.393
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc2OCc3c(ccc4NC(C)(C)C=C(C)c34)-c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H21NO2/c1-12-10-20(2,3)21-15-9-8-13-14(18(12)15)11-23-17-7-5-6-16(22-4)19(13)17/h5-10,21H,11H2,1-4H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
VBUUALSHELCWMH-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