General Information of the Compound
Compound ID
CP0056286
Compound Name
N-hydroxy-5-(1-methylpyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
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Structure
Formula
C13H15N5O3
Molecular Weight
289.295
Canonical SMILES
Cn1cccc1C(=O)N1CCn2nc(cc2C1)C(=O)NO
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InChI
InChI=1S/C13H15N5O3/c1-16-4-2-3-11(16)13(20)17-5-6-18-9(8-17)7-10(14-18)12(19)15-21/h2-4,7,21H,5-6,8H2,1H3,(H,15,19)
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InChIKey
KMSICMDUXFRYHT-UHFFFAOYSA-N
Physicochemical Property
logP
-0.0034
Rotatable Bonds
2
Heavy Atom Count
21
Polar Areas
92.39
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
21

"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: 58465584
ChEMBL ID
CHEMBL3353063
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 = 2200 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 350 nM