General Information of the Compound
| Compound ID |
CP0634620
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| Compound Name |
N-(2,6-difluoro-4-methoxybenzyl)-5-(2,2-difluoro-6-methylbenzo[d][1,3]dioxol-5-yl)pyrimidin-2-amine
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| Structure |
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| Formula |
C20H15F4N3O3
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| Molecular Weight |
421.35
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| Canonical SMILES |
COc1cc(F)c(CNc2ncc(-c3cc4c(cc3C)OC(F)(F)O4)cn2)c(F)c1
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| InChI |
InChI=1S/C20H15F4N3O3/c1-10-3-17-18(30-20(23,24)29-17)6-13(10)11-7-25-19(26-8-11)27-9-14-15(21)4-12(28-2)5-16(14)22/h3-8H,9H2,1-2H3,(H,25,26,27)
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| InChIKey |
OJVCSYNMLMXRSI-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