General Information of the Compound
Compound ID
CP0567174
Compound Name
N-[3-(4-methoxy-1-methyl-6-oxopyridin-3-yl)-4-phenoxyphenyl]methanesulfonamide
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Structure
Formula
C20H20N2O5S
Molecular Weight
400.456
Canonical SMILES
COc1cc(=O)n(C)cc1-c1cc(NS(C)(=O)=O)ccc1Oc1ccccc1
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InChI
InChI=1S/C20H20N2O5S/c1-22-13-17(19(26-2)12-20(22)23)16-11-14(21-28(3,24)25)9-10-18(16)27-15-7-5-4-6-8-15/h4-13,21H,1-3H3
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InChIKey
RHNWTJMCFPHSQX-UHFFFAOYSA-N
Physicochemical Property
logP
3.2247
Rotatable Bonds
6
Heavy Atom Count
28
Polar Areas
86.63
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
28

"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: 72549905
ChEMBL ID
CHEMBL4091093
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: PT01462, Bromodomain-containing protein 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000095 NCI-H1299 Homo sapiens (Human)  1
1
EC50 = 77 nM
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Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000183 MX-1 Homo sapiens (Human)  1
1
EC50 = 130 nM
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