General Information of the Compound
| Compound ID |
CP0523188
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-acetyl-N-(3-chloro-4-methylphenyl)-N-[3-[4-(4-cyanophenyl)-2-methylpiperazin-1-yl]propyl]piperidine-4-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H38ClN5O2
|
||||||||||||||||||
| Molecular Weight |
536.12
|
||||||||||||||||||
| Canonical SMILES |
CC1CN(CCN1CCCN(C(=O)C1CCN(CC1)C(C)=O)c1ccc(C)c(Cl)c1)c1ccc(cc1)C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H38ClN5O2/c1-22-5-8-28(19-29(22)31)36(30(38)26-11-15-34(16-12-26)24(3)37)14-4-13-33-17-18-35(21-23(33)2)27-9-6-25(20-32)7-10-27/h5-10,19,23,26H,4,11-18,21H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
DIMUQDYNQQZMJO-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