General Information of the Compound
Compound ID |
CP0639360
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Compound Name |
6-(2,2-difluoro-6-methylbenzo[d][1,3]dioxol-5-yl)-N-(2,6-difluorobenzyl)pyridin-3-amine
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Structure |
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Formula |
C20H14F4N2O2
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Molecular Weight |
390.336
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Canonical SMILES |
Cc1cc2c(cc1-c1ccc(NCc3c(F)cccc3F)cn1)OC(F)(F)O2
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InChI |
InChI=1S/C20H14F4N2O2/c1-11-7-18-19(28-20(23,24)27-18)8-13(11)17-6-5-12(9-26-17)25-10-14-15(21)3-2-4-16(14)22/h2-9,25H,10H2,1H3
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InChIKey |
LUZPKYMYKKLPPR-UHFFFAOYSA-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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ChEMBL ID |
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 |
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Table of Molecular Bioactivities Related to the Compound