General Information of the Compound
Compound ID
CP0462339
Compound Name
N-hydroxy-5-[2-[(3-phenylbenzoyl)amino]ethyl]-1,2-oxazole-3-carboxamide
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Structure
Formula
C19H17N3O4
Molecular Weight
351.362
Canonical SMILES
ONC(=O)c1cc(CCNC(=O)c2cccc(c2)-c2ccccc2)on1
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InChI
InChI=1S/C19H17N3O4/c23-18(20-10-9-16-12-17(22-26-16)19(24)21-25)15-8-4-7-14(11-15)13-5-2-1-3-6-13/h1-8,11-12,25H,9-10H2,(H,20,23)(H,21,24)
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InChIKey
WJTIJZGSCAJHKB-UHFFFAOYSA-N
Physicochemical Property
logP
2.4331
Rotatable Bonds
6
Heavy Atom Count
26
Polar Areas
104.46
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
Complexity
26

"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: 142446438
ChEMBL ID
CHEMBL4483795
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: PT00991, Histone deacetylase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 2040 nM
   TI
   LI
   LO
   TS
Protein ID: PT01213, Histone deacetylase 6
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 24 nM
   TI
   LI
   LO
   TS