General Information of the Compound
Compound ID
CP0749492
Compound Name
(1R,2R,3R)-N-Hydroxy-2-phenyl-3-(pyrazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide
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Structure
Formula
C17H15N3O2
Molecular Weight
293.326
Canonical SMILES
O=C(NO)[C@@H]1[C@H](c2ccccc2)[C@H]1c1cc2ccccn2n1
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InChI
InChI=1S/C17H15N3O2/c21-17(19-22)16-14(11-6-2-1-3-7-11)15(16)13-10-12-8-4-5-9-20(12)18-13/h1-10,14-16,22H,(H,19,21)/t14-,15-,16-/m1/s1
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InChIKey
WFQOKEXMEQQLJZ-BZUAXINKSA-N
Physicochemical Property
logP
2.3369
Rotatable Bonds
3
Heavy Atom Count
22
Polar Areas
66.63
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
22

"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: 76310314
ChEMBL ID
CHEMBL3109997
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 = 5600 nM
   TI
   LI
   LO
   TS
2
IC50 > 50000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 670 nM