General Information of the Compound
Compound ID
CP0069711
Compound Name
N-[2,4-difluoro-3-(2,6-naphthyridin-3-yl)phenyl]propane-1-sulfonamide
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Structure
Formula
C17H15F2N3O2S
Molecular Weight
363.389
Canonical SMILES
CCCS(=O)(=O)Nc1ccc(F)c(c1F)-c1cc2cnccc2cn1
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InChI
InChI=1S/C17H15F2N3O2S/c1-2-7-25(23,24)22-14-4-3-13(18)16(17(14)19)15-8-12-9-20-6-5-11(12)10-21-15/h3-6,8-10,22H,2,7H2,1H3
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InChIKey
UAZHRKQSJWEKQS-UHFFFAOYSA-N
Physicochemical Property
logP
3.7267
Rotatable Bonds
5
Heavy Atom Count
25
Polar Areas
71.95
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
25

"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: 70689807
ChEMBL ID
CHEMBL2023331
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: PT01381, Serine/threonine-protein kinase B-raf
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000212 Malme-3M Homo sapiens (Human)  1
1
IC50 = 703 nM
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