General Information of the Compound
Compound ID
CP0188391
Compound Name
N-hydroxy-4-[[2-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]amino]benzamide
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Structure
Formula
C18H16F3N3O3
Molecular Weight
379.338
Canonical SMILES
ONC(=O)c1ccc(NC2CCN(C2=O)c2ccc(cc2)C(F)(F)F)cc1
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InChI
InChI=1S/C18H16F3N3O3/c19-18(20,21)12-3-7-14(8-4-12)24-10-9-15(17(24)26)22-13-5-1-11(2-6-13)16(25)23-27/h1-8,15,22,27H,9-10H2,(H,23,25)
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InChIKey
YZMMIKVAAIZQTM-UHFFFAOYSA-N
Physicochemical Property
logP
3.0418
Rotatable Bonds
4
Heavy Atom Count
27
Polar Areas
81.67
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Complexity
27

"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: 57524753
SID: 137282424
ChEMBL ID
CHEMBL3415618
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 = 16200 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 250 nM