General Information of the Compound
Compound ID
CP0391389
Compound Name
N-[(3,5-dimethoxyphenyl)methyl]-N-methyl-3,3-diphenylpropanamide
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Structure
Formula
C25H27NO3
Molecular Weight
389.495
Canonical SMILES
COc1cc(CN(C)C(=O)CC(c2ccccc2)c2ccccc2)cc(OC)c1
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InChI
InChI=1S/C25H27NO3/c1-26(18-19-14-22(28-2)16-23(15-19)29-3)25(27)17-24(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-16,24H,17-18H2,1-3H3
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InChIKey
DNJBADOCDWIFNI-UHFFFAOYSA-N
Physicochemical Property
logP
4.8844
Rotatable Bonds
8
Heavy Atom Count
29
Polar Areas
38.77
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
29

"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: 44212684
ChEMBL ID
CHEMBL417519
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 = 226 nM
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