General Information of the Compound
Compound ID
CP0448731
Compound Name
(2S)-2-(3,3-diphenylpropanoylamino)-3-(4-hydroxyphenyl)propanoic acid
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Structure
Formula
C24H23NO4
Molecular Weight
389.451
Canonical SMILES
OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CC(c1ccccc1)c1ccccc1
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InChI
InChI=1S/C24H23NO4/c26-20-13-11-17(12-14-20)15-22(24(28)29)25-23(27)16-21(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14,21-22,26H,15-16H2,(H,25,27)(H,28,29)/t22-/m0/s1
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InChIKey
NTJVCYLHJRYAHT-QFIPXVFZSA-N
Physicochemical Property
logP
3.7263
Rotatable Bonds
8
Heavy Atom Count
29
Polar Areas
86.63
Hydrogen Bond Donor Count
3
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: 137647313
ChEMBL ID
CHEMBL4084848
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 = 23.4 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 = 214.5 nM
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