General Information of the Compound
Compound ID
CP0509471
Compound Name
N-[3-[(3,5-dimethylphenyl)methoxy]-1,1-diphenylpropan-2-yl]formamide
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Structure
Formula
C25H27NO2
Molecular Weight
373.496
Canonical SMILES
Cc1cc(C)cc(COCC(NC=O)C(c2ccccc2)c2ccccc2)c1
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InChI
InChI=1S/C25H27NO2/c1-19-13-20(2)15-21(14-19)16-28-17-24(26-18-27)25(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-15,18,24-25H,16-17H2,1-2H3,(H,26,27)
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InChIKey
NUQVMEYMKHQGHQ-UHFFFAOYSA-N
Physicochemical Property
logP
4.76674
Rotatable Bonds
9
Heavy Atom Count
28
Polar Areas
38.33
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
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: 21753663
ChEMBL ID
CHEMBL56442
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 = 11 nM
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