General Information of the Compound
| Compound ID |
CP0156962
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL2046867
Show/Hide
|
||||||||||||||||||
| Formula |
C25H32N2O
|
||||||||||||||||||
| Molecular Weight |
376.544
|
||||||||||||||||||
| Canonical SMILES |
CCOc1cccc(c1)[C@]1([C@H]2C[C@H](C)C[C@@H]12)N1CCN(CC1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H32N2O/c1-3-28-22-11-7-8-20(18-22)25(23-16-19(2)17-24(23)25)27-14-12-26(13-15-27)21-9-5-4-6-10-21/h4-11,18-19,23-24H,3,12-17H2,1-2H3/t19-,23-,24+,25+
Show/Hide
|
||||||||||||||||||
| InChIKey |
DGKRBMRQJKMPSE-VMSLVEPKSA-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 | |||||||||||||||||||
| 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