General Information of the Compound
| Compound ID |
CP0254828
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL4562252
Show/Hide
|
||||||||||||||||||
| Formula |
C23H35NO2
|
||||||||||||||||||
| Molecular Weight |
357.538
|
||||||||||||||||||
| Canonical SMILES |
COC1Cc2ccccc2[C@]2(CC[C@@H](CC2)N(C)CC2CCCCC2)O1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H35NO2/c1-24(17-18-8-4-3-5-9-18)20-12-14-23(15-13-20)21-11-7-6-10-19(21)16-22(25-2)26-23/h6-7,10-11,18,20,22H,3-5,8-9,12-17H2,1-2H3/t20-,22?,23+
Show/Hide
|
||||||||||||||||||
| InChIKey |
MBRMOGQHSBUGKH-KFWDTITQSA-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
Protein ID: PT03632, Sigma intracellular receptor 2
Protein ID: PT01509, Sigma non-opioid intracellular receptor 1