General Information of the Compound
Compound ID
CP0900466
Compound Name
5-(4-Methoxyphenylamino)-[1,2,3]thiadiazole-4-carboxylic acid amide
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Structure
Formula
C10H10N4O2S
Molecular Weight
250.283
Canonical SMILES
COc1ccc(Nc2snnc2C(N)=O)cc1
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InChI
InChI=1S/C10H10N4O2S/c1-16-7-4-2-6(3-5-7)12-10-8(9(11)15)13-14-17-10/h2-5,12H,1H3,(H2,11,15)
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InChIKey
GRXDOIIIAOUWCN-UHFFFAOYSA-N
Physicochemical Property
logP
1.3892
Rotatable Bonds
4
Heavy Atom Count
17
Polar Areas
90.13
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
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: 18467500
ChEMBL ID
CHEMBL3728957
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
   TI
   LI
   LO
   TS