General Information of the Compound
| Compound ID |
CP0411275
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-acetyl-N-(3-chlorophenyl)-N-[3-[4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]propyl]piperidine-4-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H38ClFN4O2
|
||||||||||||||||||
| Molecular Weight |
529.1
|
||||||||||||||||||
| Canonical SMILES |
CC1CN(Cc2ccc(F)cc2)CCN1CCCN(C(=O)C1CCN(CC1)C(C)=O)c1cccc(Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H38ClFN4O2/c1-22-20-32(21-24-7-9-27(31)10-8-24)17-18-33(22)13-4-14-35(28-6-3-5-26(30)19-28)29(37)25-11-15-34(16-12-25)23(2)36/h3,5-10,19,22,25H,4,11-18,20-21H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
CZVUOZPEWVPBHF-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