General Information of the Compound
| Compound ID |
CP0523661
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[3-(N-(1-acetylpiperidine-4-carbonyl)-3-chloroanilino)propyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H38ClFN4O3
|
||||||||||||||||||
| Molecular Weight |
557.11
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)N1CCC(CC1)C(=O)N(CCCN1CCC(CC1)C(=O)NCc1ccc(F)cc1)c1cccc(Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H38ClFN4O3/c1-22(37)35-18-12-25(13-19-35)30(39)36(28-5-2-4-26(31)20-28)15-3-14-34-16-10-24(11-17-34)29(38)33-21-23-6-8-27(32)9-7-23/h2,4-9,20,24-25H,3,10-19,21H2,1H3,(H,33,38)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PZUNHGZREVJANF-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