General Information of the Compound
Compound ID
CP0552136
Compound Name
N-(4-(2-(3,3,3- trifluoropropyl)hydrazine-1- carbonyl)benzyl)benzamide
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Structure
Formula
C18H18F3N3O2
Molecular Weight
365.355
Canonical SMILES
FC(F)(F)CCNNC(=O)c1ccc(CNC(=O)c2ccccc2)cc1
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InChI
InChI=1S/C18H18F3N3O2/c19-18(20,21)10-11-23-24-17(26)15-8-6-13(7-9-15)12-22-16(25)14-4-2-1-3-5-14/h1-9,23H,10-12H2,(H,22,25)(H,24,26)
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InChIKey
RLXNYIHGCMUUER-UHFFFAOYSA-N
Physicochemical Property
logP
2.8034
Rotatable Bonds
7
Heavy Atom Count
26
Polar Areas
70.23
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Complexity
26

"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: 139558719
ChEMBL ID
CHEMBL4754229
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: PT00995, Histone deacetylase 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 69.1 nM
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