General Information of the Compound
| Compound ID |
CP0546388
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| Compound Name |
[4-[[[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]phenyl]methanol
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| Formula |
C17H14F3N3O2
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| Molecular Weight |
349.312
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| Canonical SMILES |
OCc1ccc(CNc2nc(cc(n2)C(F)(F)F)-c2ccco2)cc1
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| InChI |
InChI=1S/C17H14F3N3O2/c18-17(19,20)15-8-13(14-2-1-7-25-14)22-16(23-15)21-9-11-3-5-12(10-24)6-4-11/h1-8,24H,9-10H2,(H,21,22,23)
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| InChIKey |
KJSRQLXFWCFXCD-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