General Information of the Compound
Compound ID
CP0495583
Compound Name
5-chloro-N-[(2S)-1-oxo-3-phenylpropan-2-yl]-2-phenylmethoxybenzamide
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Structure
Formula
C23H20ClNO3
Molecular Weight
393.87
Canonical SMILES
Clc1ccc(OCc2ccccc2)c(c1)C(=O)N[C@@H](Cc1ccccc1)C=O
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InChI
InChI=1S/C23H20ClNO3/c24-19-11-12-22(28-16-18-9-5-2-6-10-18)21(14-19)23(27)25-20(15-26)13-17-7-3-1-4-8-17/h1-12,14-15,20H,13,16H2,(H,25,27)/t20-/m0/s1
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InChIKey
UMSQBDSZIBHKTM-FQEVSTJZSA-N
Physicochemical Property
logP
4.459
Rotatable Bonds
8
Heavy Atom Count
28
Polar Areas
55.4
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
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: 137657944
ChEMBL ID
CHEMBL4105518
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: PT02585, Proteasome subunit beta type-5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000596 U266B1 Homo sapiens (Human)  1
1
IC50 > 1000 nM
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