General Information of the Compound
Compound ID
CP0967268
Compound Name
5-Benzylamino-[1,2,3]thiadiazole-4-carboxylic acid amide
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Structure
Formula
C10H10N4OS
Molecular Weight
234.284
Canonical SMILES
NC(=O)c1nnsc1NCc1ccccc1
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InChI
InChI=1S/C10H10N4OS/c11-9(15)8-10(16-14-13-8)12-6-7-4-2-1-3-5-7/h1-5,12H,6H2,(H2,11,15)
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InChIKey
NYVHCTIGICPPKX-UHFFFAOYSA-N
Physicochemical Property
logP
1.2491
Rotatable Bonds
4
Heavy Atom Count
16
Polar Areas
80.9
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
16

"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: 15269726
ChEMBL ID
CHEMBL3730492
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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