General Information of the Compound
| Compound ID |
CP0946466
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| Compound Name |
5-(6-chloro-2,2-difluorobenzo[d][1,3]dioxol-5-yl)-N-(5-fluoro-2-methoxybenzyl)pyridin-2-amine
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| Structure |
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| Formula |
C20H14ClF3N2O3
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| Molecular Weight |
422.79
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| Canonical SMILES |
COc1ccc(F)cc1CNc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1
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| InChI |
InChI=1S/C20H14ClF3N2O3/c1-27-16-4-3-13(22)6-12(16)10-26-19-5-2-11(9-25-19)14-7-17-18(8-15(14)21)29-20(23,24)28-17/h2-9H,10H2,1H3,(H,25,26)
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| InChIKey |
PHSVBTROLPTESE-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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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