General Information of the Compound
Compound ID
CP0400884
Compound Name
N-(3,3-diphenylpropyl)-2,2-diphenylpropanamide
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Structure
Formula
C30H29NO
Molecular Weight
419.568
Canonical SMILES
CC(C(=O)NCCC(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
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InChI
InChI=1S/C30H29NO/c1-30(26-18-10-4-11-19-26,27-20-12-5-13-21-27)29(32)31-23-22-28(24-14-6-2-7-15-24)25-16-8-3-9-17-25/h2-21,28H,22-23H2,1H3,(H,31,32)
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InChIKey
QKPQXTBFKAZYEF-UHFFFAOYSA-N
Physicochemical Property
logP
6.331
Rotatable Bonds
8
Heavy Atom Count
32
Polar Areas
29.1
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
32

"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: 44578575
ChEMBL ID
CHEMBL478624
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: PT01298, Cannabinoid receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 560 nM
   TI
   LI
   LO
   TS
Protein ID: PT00834, Cannabinoid receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 290 nM
   TI
   LI
   LO
   TS