General Information of the Compound
Compound ID
CP0562239
Compound Name
2-(cyclohexanecarbonyl)-N-hydroxy-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide
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Structure
Formula
C15H21N3O3
Molecular Weight
291.351
Canonical SMILES
ONC(=O)c1cc2CN(CCn2c1)C(=O)C1CCCCC1
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InChI
InChI=1S/C15H21N3O3/c19-14(16-21)12-8-13-10-18(7-6-17(13)9-12)15(20)11-4-2-1-3-5-11/h8-9,11,21H,1-7,10H2,(H,16,19)
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InChIKey
IRYNPILZVVOIKV-UHFFFAOYSA-N
Physicochemical Property
logP
1.5296
Rotatable Bonds
2
Heavy Atom Count
21
Polar Areas
74.57
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
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: 58465664
ChEMBL ID
CHEMBL3353058
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 = 730 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 100 nM