General Information of the Compound
Compound ID
CP0547369
Compound Name
N-hydroxy-4-[[5-[4-(trifluoromethyl)phenyl]tetrazol-2-yl]methyl]benzamide
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Structure
Formula
C16H12F3N5O2
Molecular Weight
363.299
Canonical SMILES
ONC(=O)c1ccc(Cn2nnc(n2)-c2ccc(cc2)C(F)(F)F)cc1
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InChI
InChI=1S/C16H12F3N5O2/c17-16(18,19)13-7-5-11(6-8-13)14-20-23-24(21-14)9-10-1-3-12(4-2-10)15(25)22-26/h1-8,26H,9H2,(H,22,25)
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InChIKey
ZDZCBKYMNKPPMJ-UHFFFAOYSA-N
Physicochemical Property
logP
2.5262
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
92.93
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
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: 135358004
ChEMBL ID
CHEMBL4580311
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 = 11 nM
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