General Information of the Compound
Compound ID
CP0211234
Compound Name
N-hydroxy-2-(1-methylpyrrole-2-carbonyl)-1,3-dihydroisoindole-5-carboxamide
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Structure
Formula
C15H15N3O3
Molecular Weight
285.303
Canonical SMILES
Cn1cccc1C(=O)N1Cc2ccc(cc2C1)C(=O)NO
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InChI
InChI=1S/C15H15N3O3/c1-17-6-2-3-13(17)15(20)18-8-11-5-4-10(14(19)16-21)7-12(11)9-18/h2-7,21H,8-9H2,1H3,(H,16,19)
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InChIKey
IHONXOHKSLIKOD-UHFFFAOYSA-N
Physicochemical Property
logP
1.3001
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: 58147189
ChEMBL ID
CHEMBL2431906
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 = 340 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 40 nM