General Information of the Compound
Compound ID
CP0967653
Compound Name
5-(Naphthalen-1-ylamino)-[1,2,3]thiadiazole-4-carboxylic acid amide
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Structure
Formula
C13H10N4OS
Molecular Weight
270.317
Canonical SMILES
NC(=O)c1nnsc1Nc1cccc2ccccc12
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InChI
InChI=1S/C13H10N4OS/c14-12(18)11-13(19-17-16-11)15-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,15H,(H2,14,18)
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InChIKey
WWWJZOOFMLPYFO-UHFFFAOYSA-N
Physicochemical Property
logP
2.5338
Rotatable Bonds
3
Heavy Atom Count
19
Polar Areas
80.9
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
19

"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: 18467494
ChEMBL ID
CHEMBL3732293
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 = 19000 nM
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