General Information of the Compound
Compound ID
CP0472366
Compound Name
(2S)-2-(3,3-diphenylpropanoylamino)-3-phenylpropanoic acid
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Structure
Formula
C24H23NO3
Molecular Weight
373.452
Canonical SMILES
OC(=O)[C@H](Cc1ccccc1)NC(=O)CC(c1ccccc1)c1ccccc1
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InChI
InChI=1S/C24H23NO3/c26-23(25-22(24(27)28)16-18-10-4-1-5-11-18)17-21(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21-22H,16-17H2,(H,25,26)(H,27,28)/t22-/m0/s1
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InChIKey
OKPOWHJBMXCHGA-QFIPXVFZSA-N
Physicochemical Property
logP
4.0207
Rotatable Bonds
8
Heavy Atom Count
28
Polar Areas
66.4
Hydrogen Bond Donor Count
2
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: 122689625
ChEMBL ID
CHEMBL4074577
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: PT01771, E3 ubiquitin-protein ligase Mdm2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000102 U-87MG ATCC Homo sapiens (Human)  1
1
IC50 = 43 nM
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Protein ID: PT02099, Protein Mdm4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000004 SH-SY5Y Homo sapiens (Human)  1
1
IC50 = 140 nM
   TI
   LI
   LO
   TS