General Information of the Compound
Compound ID
CP0571658
Compound Name
4-[(5,8-dimethyl-6-oxo-7H-pteridin-2-yl)amino]benzenesulfonamide
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Structure
Formula
C14H16N6O3S
Molecular Weight
348.388
Canonical SMILES
CN1CC(=O)N(C)c2cnc(Nc3ccc(cc3)S(N)(=O)=O)nc12
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InChI
InChI=1S/C14H16N6O3S/c1-19-8-12(21)20(2)11-7-16-14(18-13(11)19)17-9-3-5-10(6-4-9)24(15,22)23/h3-7H,8H2,1-2H3,(H2,15,22,23)(H,16,17,18)
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InChIKey
VDELEWVDOLMGPI-UHFFFAOYSA-N
Physicochemical Property
logP
0.2802
Rotatable Bonds
3
Heavy Atom Count
24
Polar Areas
121.52
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
Complexity
24

"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: 153027641
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: PT01768, Serine/threonine-protein kinase 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 495 nM
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