General Information of the Compound
| Compound ID |
CP0890157
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(+/-)-1-(3-biphenyl-2-ylpropyl)-4-[2-(4-fluorophenyl)-2-(1-isopropylpiperidin-4-yl)ethyl]piperazine tri hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C35H47ClFN3
|
||||||||||||||||||
| Molecular Weight |
564.233
|
||||||||||||||||||
| Canonical SMILES |
CC(C)N1CCC(C(CN2CCN(CCCc3ccccc3-c3ccccc3)CC2)c2ccc(F)cc2)CC1.Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C35H46FN3.ClH/c1-28(2)39-21-18-32(19-22-39)35(31-14-16-33(36)17-15-31)27-38-25-23-37(24-26-38)20-8-12-30-11-6-7-13-34(30)29-9-4-3-5-10-29;/h3-7,9-11,13-17,28,32,35H,8,12,18-27H2,1-2H3;1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
UURYSRCSQNHZBX-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