General Information of the Compound
Compound ID
CP0056287
Compound Name
N-hydroxy-2-(4-methoxybenzoyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide
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Structure
Formula
C16H17N3O4
Molecular Weight
315.329
Canonical SMILES
COc1ccc(cc1)C(=O)N1CCn2cc(cc2C1)C(=O)NO
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InChI
InChI=1S/C16H17N3O4/c1-23-14-4-2-11(3-5-14)16(21)19-7-6-18-9-12(15(20)17-22)8-13(18)10-19/h2-5,8-9,22H,6-7,10H2,1H3,(H,17,20)
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InChIKey
ZBYDKMSHGGWYID-UHFFFAOYSA-N
Physicochemical Property
logP
1.2717
Rotatable Bonds
3
Heavy Atom Count
23
Polar Areas
83.8
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
23

"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: 87400677
ChEMBL ID
CHEMBL3353057
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 = 100 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 43 nM