General Information of the Compound
| Compound ID |
CP0500986
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(4-fluorophenyl)-N-(3-{4-[5-(isobutylamino)-2-methylphenyl]-1-piperidinyl}propyl)cyclohexanecarboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H42FN3O2
|
||||||||||||||||||
| Molecular Weight |
507.694
|
||||||||||||||||||
| Canonical SMILES |
CC(C)C(=O)Nc1ccc(C)c(c1)C1CCN(CCCNC(=O)C2(CCCC2)c2ccc(F)cc2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H42FN3O2/c1-22(2)29(36)34-27-12-7-23(3)28(21-27)24-13-19-35(20-14-24)18-6-17-33-30(37)31(15-4-5-16-31)25-8-10-26(32)11-9-25/h7-12,21-22,24H,4-6,13-20H2,1-3H3,(H,33,37)(H,34,36)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BMVZQYRVHRLKTR-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