General Information of the Compound
| Compound ID |
CP0198045
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL1824245
Show/Hide
|
||||||||||||||||||
| Formula |
C28H38N2O
|
||||||||||||||||||
| Molecular Weight |
418.625
|
||||||||||||||||||
| Canonical SMILES |
C(COc1ccc(cc1)[C@H]1CC[C@@H](CC1)N1Cc2ccccc2C1)CN1CCCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H38N2O/c1-4-17-29(18-5-1)19-6-20-31-28-15-11-24(12-16-28)23-9-13-27(14-10-23)30-21-25-7-2-3-8-26(25)22-30/h2-3,7-8,11-12,15-16,23,27H,1,4-6,9-10,13-14,17-22H2/t23-,27-
Show/Hide
|
||||||||||||||||||
| InChIKey |
IEPREURIPCPAKP-JIBACQESSA-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