General Information of the Compound
| Compound ID |
CP0043422
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| Compound Name |
4-[6-amino-7-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]furo[3,2-c]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
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| Structure |
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| Formula |
C21H19Cl2FN4O3
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| Molecular Weight |
465.312
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| Canonical SMILES |
C[C@@H](Oc1c(N)ncc2c(coc12)C1=CCN(CC1)C(N)=O)c1c(Cl)ccc(F)c1Cl
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| InChI |
InChI=1S/C21H19Cl2FN4O3/c1-10(16-14(22)2-3-15(24)17(16)23)31-19-18-12(8-27-20(19)25)13(9-30-18)11-4-6-28(7-5-11)21(26)29/h2-4,8-10H,5-7H2,1H3,(H2,25,27)(H2,26,29)/t10-/m1/s1
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| InChIKey |
LVYXERPKYAQGKM-SNVBAGLBSA-N
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| Physicochemical Property |
"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). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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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 |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01203, ALK tyrosine kinase receptor
Protein ID: PT01223, Aurora kinase B
Protein ID: PT01201, Hepatocyte growth factor receptor
Protein ID: PT00933, Macrophage-stimulating protein receptor