General Information of the Compound
| Compound ID |
CP0492371
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-ethyl-N-[1-[3-[4-(3-fluorophenyl)piperazin-1-yl]-3-phenylpropyl]piperidin-4-yl]-2-(4-methylsulfonylphenyl)acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C35H45FN4O3S
|
||||||||||||||||||
| Molecular Weight |
620.835
|
||||||||||||||||||
| Canonical SMILES |
CCN(C1CCN(CCC(N2CCN(CC2)c2cccc(F)c2)c2ccccc2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C35H45FN4O3S/c1-3-40(35(41)26-28-12-14-33(15-13-28)44(2,42)43)31-16-19-37(20-17-31)21-18-34(29-8-5-4-6-9-29)39-24-22-38(23-25-39)32-11-7-10-30(36)27-32/h4-15,27,31,34H,3,16-26H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
XXWFSNOROXVFAO-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
Protein ID: PT00903, C-C chemokine receptor type 5
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2