General Information of the Compound
Compound ID
CP0057690
Compound Name
N-hydroxy-7-(4-phenylbenzoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
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Structure
Formula
C20H18N4O3
Molecular Weight
362.389
Canonical SMILES
ONC(=O)c1cn2CCN(Cc2n1)C(=O)c1ccc(cc1)-c1ccccc1
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InChI
InChI=1S/C20H18N4O3/c25-19(22-27)17-12-23-10-11-24(13-18(23)21-17)20(26)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-9,12,27H,10-11,13H2,(H,22,25)
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InChIKey
OGQGBQMGXFYPBR-UHFFFAOYSA-N
Physicochemical Property
logP
2.3251
Rotatable Bonds
3
Heavy Atom Count
27
Polar Areas
87.46
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
27

"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: 53390842
SID: 125318969
ChEMBL ID
CHEMBL3353068
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: PT01213, Histone deacetylase 6
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa Homo sapiens (Human)  1
1
IC50 = 2100 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 87 nM