General Information of the Compound
Compound ID
CP0257134
Compound Name
4-[[(3R)-1-(4-chlorophenyl)-3-methyl-2-oxopyrrolidin-3-yl]amino]-N-hydroxybenzamide
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Structure
Formula
C18H18ClN3O3
Molecular Weight
359.813
Canonical SMILES
C[C@]1(CCN(C1=O)c1ccc(Cl)cc1)Nc1ccc(cc1)C(=O)NO
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InChI
InChI=1S/C18H18ClN3O3/c1-18(20-14-6-2-12(3-7-14)16(23)21-25)10-11-22(17(18)24)15-8-4-13(19)5-9-15/h2-9,20,25H,10-11H2,1H3,(H,21,23)/t18-/m1/s1
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InChIKey
JMBODOHYRWZQEW-GOSISDBHSA-N
Physicochemical Property
logP
3.0665
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
81.67
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Complexity
25

"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: 118733375
ChEMBL ID
CHEMBL3415630
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
CL000068 A-549 Homo sapiens (Human)  1
1
EC50 = 1900 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 260 nM