General Information of the Compound
Compound ID
CP0576677
Compound Name
4-[[6-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-2,3-dihydroindol-1-yl]methyl]-N-hydroxybenzamide
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Structure
Formula
C24H20ClF3N4O3
Molecular Weight
504.896
Canonical SMILES
ONC(=O)c1ccc(CN2CCc3ccc(NC(=O)Nc4ccc(Cl)c(c4)C(F)(F)F)cc23)cc1
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InChI
InChI=1S/C24H20ClF3N4O3/c25-20-8-7-17(11-19(20)24(26,27)28)29-23(34)30-18-6-5-15-9-10-32(21(15)12-18)13-14-1-3-16(4-2-14)22(33)31-35/h1-8,11-12,35H,9-10,13H2,(H,31,33)(H2,29,30,34)
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InChIKey
VPSBSBHMOGBXFD-UHFFFAOYSA-N
Physicochemical Property
logP
5.6845
Rotatable Bonds
5
Heavy Atom Count
35
Polar Areas
93.7
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
4
Complexity
35

"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: 166632582
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
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 251 nM
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