General Information of the Compound
| Compound ID |
CP0638249
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| Compound Name |
N-(2,6-difluorobenzyl)-5-(6-methoxy-4-methylpyridin-3-yl)pyrimidin-2-amine
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| Structure |
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| Formula |
C18H16F2N4O
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| Molecular Weight |
342.349
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| Canonical SMILES |
COc1cc(C)c(-c2cnc(NCc3c(F)cccc3F)nc2)cn1
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| InChI |
InChI=1S/C18H16F2N4O/c1-11-6-17(25-2)21-9-13(11)12-7-22-18(23-8-12)24-10-14-15(19)4-3-5-16(14)20/h3-9H,10H2,1-2H3,(H,22,23,24)
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| InChIKey |
AYUGLQZBCOPLGZ-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