General Information of the Compound
Compound ID
CP0467113
Compound Name
N-[(3,5-dimethoxyphenyl)methyl]-3,3-diphenylpropanamide
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Structure
Formula
C24H25NO3
Molecular Weight
375.468
Canonical SMILES
COc1cc(CNC(=O)CC(c2ccccc2)c2ccccc2)cc(OC)c1
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InChI
InChI=1S/C24H25NO3/c1-27-21-13-18(14-22(15-21)28-2)17-25-24(26)16-23(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-15,23H,16-17H2,1-2H3,(H,25,26)
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InChIKey
SZSNPMYOMSLAPU-UHFFFAOYSA-N
Physicochemical Property
logP
4.5422
Rotatable Bonds
8
Heavy Atom Count
28
Polar Areas
47.56
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
28

"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: 44212688
ChEMBL ID
CHEMBL40164
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 = 2235 nM
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