General Information of the Compound
Compound ID
CP0473322
Compound Name
4-[[5-[4-(aminomethyl)phenyl]tetrazol-2-yl]methyl]-N-hydroxybenzamide
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Structure
Formula
C16H16N6O2
Molecular Weight
324.344
Canonical SMILES
NCc1ccc(cc1)-c1nnn(Cc2ccc(cc2)C(=O)NO)n1
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InChI
InChI=1S/C16H16N6O2/c17-9-11-1-5-13(6-2-11)15-18-21-22(19-15)10-12-3-7-14(8-4-12)16(23)20-24/h1-8,24H,9-10,17H2,(H,20,23)
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InChIKey
FXFZODKSYUPWOG-UHFFFAOYSA-N
Physicochemical Property
logP
0.9661
Rotatable Bonds
5
Heavy Atom Count
24
Polar Areas
118.95
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
7
Complexity
24

"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: 135357457
ChEMBL ID
CHEMBL4471726
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 = 2 nM
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