General Information of the Compound
| Compound ID |
CP0562617
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(+/-)-1-[2-(4-fluorophenyl)-2-(4-isopropylpiperazin-1-yl)ethyl]-4-[3-(3-methylbiphenyl-2-yl)propyl]piperazine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C35H47FN4
|
||||||||||||||||||
| Molecular Weight |
542.787
|
||||||||||||||||||
| Canonical SMILES |
CC(C)N1CCN(CC1)C(CN1CCN(CCCc2c(C)cccc2-c2ccccc2)CC1)c1ccc(F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C35H47FN4/c1-28(2)39-23-25-40(26-24-39)35(31-14-16-32(36)17-15-31)27-38-21-19-37(20-22-38)18-8-13-33-29(3)9-7-12-34(33)30-10-5-4-6-11-30/h4-7,9-12,14-17,28,35H,8,13,18-27H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
JBXYADWMJLOTTL-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