General Information of the Compound
| Compound ID |
CP0637164
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| Compound Name |
5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyrimidin-2-amine
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| Structure |
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| Formula |
C19H13F4N3O2
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| Molecular Weight |
391.324
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| Canonical SMILES |
Cc1cc2c(cc1-c1cnc(NCc3c(F)cccc3F)nc1)OC(F)(F)O2
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| InChI |
InChI=1S/C19H13F4N3O2/c1-10-5-16-17(28-19(22,23)27-16)6-12(10)11-7-24-18(25-8-11)26-9-13-14(20)3-2-4-15(13)21/h2-8H,9H2,1H3,(H,24,25,26)
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| InChIKey |
QULPSNYDZVYBKP-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