General Information of the Compound
Compound ID
CP0179950
Compound Name
(1S,2S,3S)-1-fluoro-N-hydroxy-2-[4-(1,3-oxazol-5-yl)phenyl]-3-phenylcyclopropane-1-carboxamide
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Structure
Formula
C19H15FN2O3
Molecular Weight
338.338
Canonical SMILES
ONC(=O)[C@]1(F)[C@@H]([C@H]1c1ccc(cc1)-c1cnco1)c1ccccc1
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InChI
InChI=1S/C19H15FN2O3/c20-19(18(23)22-24)16(13-4-2-1-3-5-13)17(19)14-8-6-12(7-9-14)15-10-21-11-25-15/h1-11,16-17,24H,(H,22,23)/t16-,17-,19+/m1/s1
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InChIKey
TUZLRTHLFZOEMM-LMMKCTJWSA-N
Physicochemical Property
logP
3.4363
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
75.36
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
25

"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: 72948223
ChEMBL ID
CHEMBL3793439
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)  1
1
IC50 = 120 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 10 nM