General Information of the Compound
| Compound ID |
CP0702819
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
10-Methoxy-2,2,4-trimethyl-5-(3-methyl-cyclohex-2-enyl)-2,5-dihydro-1H-6-oxa-1-aza-chrysene
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H31NO2
|
||||||||||||||||||
| Molecular Weight |
401.55
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc2c1-c1ccc3c(c1C(C1C=C(C)CCC1)O2)C(C)=CC(C)(C)N3
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H31NO2/c1-16-8-6-9-18(14-16)26-25-19(24-21(29-5)10-7-11-22(24)30-26)12-13-20-23(25)17(2)15-27(3,4)28-20/h7,10-15,18,26,28H,6,8-9H2,1-5H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZOUVODOOOFQPOC-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