General Information of the Compound
Compound ID
CP0013468
Compound Name
5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-N-phenylpyridine-3-sulfonamide
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Formula
C17H18N2O4S
Molecular Weight
346.408
Canonical SMILES
COc1ncc(cc1S(=O)(=O)Nc1ccccc1)C1=CCOCC1
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InChI
InChI=1S/C17H18N2O4S/c1-22-17-16(24(20,21)19-15-5-3-2-4-6-15)11-14(12-18-17)13-7-9-23-10-8-13/h2-7,11-12,19H,8-10H2,1H3
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InChIKey
WWUFZGRXZMNNTM-UHFFFAOYSA-N
Physicochemical Property
logP
2.6947
Rotatable Bonds
5
Heavy Atom Count
24
Polar Areas
77.52
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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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ChEMBL ID
CHEMBL4849115
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: PT01029, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000012 Sf21 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 7943.28 nM
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