General Information of the Compound
Compound ID
CP0538118
Compound Name
8-[4-(2-amino-3-chloropyridin-4-yl)oxy-3-fluoroanilino]-2-(4-fluorophenyl)-3-methyl-2,7-naphthyridin-1-one
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Structure
Formula
C26H18ClF2N5O2
Molecular Weight
505.912
Canonical SMILES
Cc1cc2ccnc(Nc3ccc(Oc4ccnc(N)c4Cl)c(F)c3)c2c(=O)n1-c1ccc(F)cc1
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InChI
InChI=1S/C26H18ClF2N5O2/c1-14-12-15-8-10-32-25(22(15)26(35)34(14)18-5-2-16(28)3-6-18)33-17-4-7-20(19(29)13-17)36-21-9-11-31-24(30)23(21)27/h2-13H,1H3,(H2,30,31)(H,32,33)
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InChIKey
OWJRWSURUBTCKB-UHFFFAOYSA-N
Physicochemical Property
logP
6.13882
Rotatable Bonds
5
Heavy Atom Count
36
Polar Areas
95.06
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
Complexity
36

"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: 71510447
SID: 163499133
ChEMBL ID
CHEMBL4442365
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: PT01201, Hepatocyte growth factor receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000413 MKN45 Homo sapiens (Human)  1
1
IC50 = 89.8 nM
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