General Information of the Compound
| Compound ID |
CP0392967
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[(Z)-4-(3,5-Bis-trifluoromethyl-benzyloxymethyl)-3-(3,4-dichloro-phenyl)-hept-4-enyl]-4-phenyl-piperidin-4-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C34H35Cl2F6NO2
|
||||||||||||||||||
| Molecular Weight |
674.553
|
||||||||||||||||||
| Canonical SMILES |
CC\C=C(/COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(CCN1CCC(O)(CC1)c1ccccc1)c1ccc(Cl)c(Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C34H35Cl2F6NO2/c1-2-6-25(22-45-21-23-17-27(33(37,38)39)20-28(18-23)34(40,41)42)29(24-9-10-30(35)31(36)19-24)11-14-43-15-12-32(44,13-16-43)26-7-4-3-5-8-26/h3-10,17-20,29,44H,2,11-16,21-22H2,1H3/b25-6+
Show/Hide
|
||||||||||||||||||
| InChIKey |
ILUXOOXAZQEODK-KXEZBXAJSA-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