General Information of the Compound
Compound ID
CP0575504
Compound Name
5-amino-N-phenyl-3-(4-sulfamoylanilino)-1,2,4-triazole-1-carboxamide
    Show/Hide
Structure
Formula
C15H15N7O3S
Molecular Weight
373.398
Canonical SMILES
Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)Nc1ccccc1
    Show/Hide
InChI
InChI=1S/C15H15N7O3S/c16-13-20-14(18-11-6-8-12(9-7-11)26(17,24)25)21-22(13)15(23)19-10-4-2-1-3-5-10/h1-9H,(H,19,23)(H2,17,24,25)(H3,16,18,20,21)
    Show/Hide
InChIKey
ZQFUBCAVNORBSG-UHFFFAOYSA-N
Physicochemical Property
logP
1.3315
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
158.02
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
8
Complexity
26

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 145998262
ChEMBL ID
CHEMBL4475907
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: PT01214, Tyrosine-protein kinase JAK2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
Kd = 4700 nM
   TI
   LI
   LO
   TS