General Information of the Compound
Compound ID
CP0960145
Compound Name
5-Hexylamino-[1,2,3]thiadiazole-4-carboxylic acid amide
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Structure
Formula
C9H16N4OS
Molecular Weight
228.321
Canonical SMILES
CCCCCCNc1snnc1C(N)=O
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InChI
InChI=1S/C9H16N4OS/c1-2-3-4-5-6-11-9-7(8(10)14)12-13-15-9/h11H,2-6H2,1H3,(H2,10,14)
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InChIKey
HEBJAQSCKKOMTD-UHFFFAOYSA-N
Physicochemical Property
logP
1.6292
Rotatable Bonds
7
Heavy Atom Count
15
Polar Areas
80.9
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
15

"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: 18467502
ChEMBL ID
CHEMBL3730411
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: PT04001, Integrin-linked protein kinase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 > 20000 nM
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