General Information of the Compound
| Compound ID |
CP0383525
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(1-(4-fluorophenyl)-2-{4-[4-(2-isopropoxy-1-naphthyl)butyl]piperazin-1-yl}ethyl)-4-isopropylpiperazine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C36H51FN4O
|
||||||||||||||||||
| Molecular Weight |
574.829
|
||||||||||||||||||
| Canonical SMILES |
CC(C)Oc1ccc2ccccc2c1CCCCN1CCN(CC(N2CCN(CC2)C(C)C)c2ccc(F)cc2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C36H51FN4O/c1-28(2)40-23-25-41(26-24-40)35(31-12-15-32(37)16-13-31)27-39-21-19-38(20-22-39)18-8-7-11-34-33-10-6-5-9-30(33)14-17-36(34)42-29(3)4/h5-6,9-10,12-17,28-29,35H,7-8,11,18-27H2,1-4H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
LXYNSRGSZRHNAF-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