General Information of the Compound
Compound ID
CP0967654
Compound Name
5-Phenylamino-[1,2,3]thiadiazole-4-carboxylic acid acetylamide
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Structure
Formula
C11H10N4O2S
Molecular Weight
262.294
Canonical SMILES
CC(=O)NC(=O)c1nnsc1Nc1ccccc1
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InChI
InChI=1S/C11H10N4O2S/c1-7(16)12-10(17)9-11(18-15-14-9)13-8-5-3-2-4-6-8/h2-6,13H,1H3,(H,12,16,17)
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InChIKey
BNDXVPHCKRQQAO-UHFFFAOYSA-N
Physicochemical Property
logP
1.558
Rotatable Bonds
3
Heavy Atom Count
18
Polar Areas
83.98
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
18

"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: 22093064
ChEMBL ID
CHEMBL3729909
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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   LI
   LO
   TS