General Information of the Compound
Compound ID
CP0484279
Compound Name
4-chloro-N-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)pyridin-3-yl]benzenesulfonamide
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Structure
Formula
C20H15ClN4O4S
Molecular Weight
442.884
Canonical SMILES
COc1ncc(cc1NS(=O)(=O)c1ccc(Cl)cc1)-c1ccc2nccc(=O)n2c1
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InChI
InChI=1S/C20H15ClN4O4S/c1-29-20-17(24-30(27,28)16-5-3-15(21)4-6-16)10-14(11-23-20)13-2-7-18-22-9-8-19(26)25(18)12-13/h2-12,24H,1H3
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InChIKey
WMMJZVSXILOMRC-UHFFFAOYSA-N
Physicochemical Property
logP
3.2193
Rotatable Bonds
5
Heavy Atom Count
30
Polar Areas
102.66
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Complexity
30

"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: 118617097
ChEMBL ID
CHEMBL4280614
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: PT01045, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000083 MCF-7 Homo sapiens (Human)  1
1
IC50 = 48.8 nM
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Protein ID: PT01065, Serine/threonine-protein kinase mTOR
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000083 MCF-7 Homo sapiens (Human)  1
1
IC50 = 223.4 nM
   TI
   LI
   LO
   TS