General Information of the Compound
Compound ID
CP0822679
Compound Name
(1R,2R,3S)-N-Hydroxy-2-(5-methylthiazol-2-yl)-3-phenylcyclopropanecarboxamide
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Structure
Formula
C14H14N2O2S
Molecular Weight
274.345
Canonical SMILES
Cc1cnc([C@H]2[C@H](C(=O)NO)[C@@H]2c2ccccc2)s1
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InChI
InChI=1S/C14H14N2O2S/c1-8-7-15-14(19-8)12-10(11(12)13(17)16-18)9-5-3-2-4-6-9/h2-7,10-12,18H,1H3,(H,16,17)/t10-,11+,12+/m0/s1
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InChIKey
STEPZNNSCVAGHF-QJPTWQEYSA-N
Physicochemical Property
logP
2.45412
Rotatable Bonds
3
Heavy Atom Count
19
Polar Areas
62.22
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
19

"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: 76321254
ChEMBL ID
CHEMBL3110024
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 = 2300 nM
   TI
   LI
   LO
   TS
2
IC50 > 50000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 530 nM