General Information of the Compound
| Compound ID |
CP0496743
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(+/-)-1-cyclopropyl-4-(1-(4-fluorophenyl)-2-{4-[4-(1-naphthyl)butyl]piperazin-1-yl}ethyl)piperazine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H43FN4
|
||||||||||||||||||
| Molecular Weight |
514.733
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(cc1)C(CN1CCN(CCCCc2cccc3ccccc23)CC1)N1CCN(CC1)C1CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H43FN4/c34-30-13-11-29(12-14-30)33(38-24-22-37(23-25-38)31-15-16-31)26-36-20-18-35(19-21-36)17-4-3-7-28-9-5-8-27-6-1-2-10-32(27)28/h1-2,5-6,8-14,31,33H,3-4,7,15-26H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
MDCVCAIQJRDIKA-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