General Information of the Compound
| Compound ID |
CP0946265
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| Compound Name |
5-(2-Fluoro-benzyl)-2-(6-trifluoromethyl-pyridin-2-yl)-pyrimidine-4,6-diamine
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| Structure |
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| Formula |
C17H13F4N5
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| Molecular Weight |
363.318
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| Canonical SMILES |
Nc1nc(-c2cccc(C(F)(F)F)n2)nc(N)c1Cc1ccccc1F
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| InChI |
InChI=1S/C17H13F4N5/c18-11-5-2-1-4-9(11)8-10-14(22)25-16(26-15(10)23)12-6-3-7-13(24-12)17(19,20)21/h1-7H,8H2,(H4,22,23,25,26)
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| InChIKey |
GFKVIKZSAYZZLE-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