General Information of the Compound
Compound ID
CP0717881
Compound Name
(1R,2R,3R)-N-Hydroxy-2-(4-(oxazol-4-yl)phenyl)-3-phenylcyclopropanecarboxamide
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Structure
Formula
C19H16N2O3
Molecular Weight
320.348
Canonical SMILES
O=C(NO)[C@@H]1[C@H](c2ccccc2)[C@H]1c1ccc(-c2cocn2)cc1
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InChI
InChI=1S/C19H16N2O3/c22-19(21-23)18-16(13-4-2-1-3-5-13)17(18)14-8-6-12(7-9-14)15-10-24-11-20-15/h1-11,16-18,23H,(H,21,22)/t16-,17-,18-/m1/s1
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InChIKey
RGXLEMQMRKQQHC-KZNAEPCWSA-N
Physicochemical Property
logP
3.3442
Rotatable Bonds
4
Heavy Atom Count
24
Polar Areas
75.36
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
24

"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: 76324877
ChEMBL ID
CHEMBL3109986
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: PT00994, Histone deacetylase 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000081 Jurkat E6.1 Homo sapiens (Human)  2
1
IC50 = 500 nM
   TI
   LI
   LO
   TS
2
IC50 > 50000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 60 nM