General Information of the Compound
Compound ID
CP0535325
Compound Name
N-(3,4-dichlorophenyl)-2-(3,5-difluorophenoxy)-N-piperidin-4-ylacetamide
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Structure
Formula
C19H18Cl2F2N2O2
Molecular Weight
415.267
Canonical SMILES
Fc1cc(F)cc(OCC(=O)N(C2CCNCC2)c2ccc(Cl)c(Cl)c2)c1
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InChI
InChI=1S/C19H18Cl2F2N2O2/c20-17-2-1-15(10-18(17)21)25(14-3-5-24-6-4-14)19(26)11-27-16-8-12(22)7-13(23)9-16/h1-2,7-10,14,24H,3-6,11H2
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InChIKey
JIRPCGSGAFSCJQ-UHFFFAOYSA-N
Physicochemical Property
logP
4.4356
Rotatable Bonds
5
Heavy Atom Count
27
Polar Areas
41.57
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
27

"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).

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PubChem ID
CID: 44322678
ChEMBL ID
CHEMBL88731
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: PT01410, Substance-P receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 1258.93 nM
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