General Information of the Compound
Compound ID
CP0862358
Compound Name
5-Benzoylamino-[1,2,3]thiadiazole-4-carboxylic acid amide
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Structure
Formula
C10H8N4O2S
Molecular Weight
248.267
Canonical SMILES
NC(=O)c1nnsc1NC(=O)c1ccccc1
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InChI
InChI=1S/C10H8N4O2S/c11-8(15)7-10(17-14-13-7)12-9(16)6-4-2-1-3-5-6/h1-5H,(H2,11,15)(H,12,16)
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InChIKey
SKQFJNMOXBEPSN-UHFFFAOYSA-N
Physicochemical Property
logP
0.8893
Rotatable Bonds
3
Heavy Atom Count
17
Polar Areas
97.97
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
17

"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: 1499175
ChEMBL ID
CHEMBL3732197
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