General Information of the Compound
Compound ID
CP0426080
Compound Name
4-[[5-(4-aminophenyl)tetrazol-2-yl]methyl]-3,5-difluoro-N-hydroxybenzamide
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Structure
Formula
C15H12F2N6O2
Molecular Weight
346.297
Canonical SMILES
Nc1ccc(cc1)-c1nnn(Cc2c(F)cc(cc2F)C(=O)NO)n1
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InChI
InChI=1S/C15H12F2N6O2/c16-12-5-9(15(24)21-25)6-13(17)11(12)7-23-20-14(19-22-23)8-1-3-10(18)4-2-8/h1-6,25H,7,18H2,(H,21,24)
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InChIKey
LHBOAIADGXZNHD-UHFFFAOYSA-N
Physicochemical Property
logP
1.3678
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
118.95
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
7
Complexity
25

"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: 135357622
ChEMBL ID
CHEMBL4568509
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 = 3 nM
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