General Information of the Compound
Compound ID
CP0479760
Compound Name
N-hydroxy-4-[[5-[3-(pentafluoro-lambda6-sulfanyl)phenyl]tetrazol-2-yl]methyl]benzamide
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Structure
Formula
C15H12F5N5O2S
Molecular Weight
421.351
Canonical SMILES
ONC(=O)c1ccc(Cn2nnc(n2)-c2cccc(c2)S(F)(F)(F)(F)F)cc1
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InChI
InChI=1S/C15H12F5N5O2S/c16-28(17,18,19,20)13-3-1-2-12(8-13)14-21-24-25(22-14)9-10-4-6-11(7-5-10)15(26)23-27/h1-8,27H,9H2,(H,23,26)
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InChIKey
RGPRABLXRYJELS-UHFFFAOYSA-N
Physicochemical Property
logP
4.1648
Rotatable Bonds
5
Heavy Atom Count
28
Polar Areas
92.93
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
28

"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: 135358300
ChEMBL ID
CHEMBL4515650
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 = 26 nM
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