General Information of the Compound
| Compound ID |
CP0502492
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| Compound Name |
9-(2-Fluoro-4-trifluoromethyl-benzyl)-6-furan-2-yl-9H-purin-2-ylamine
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| Structure |
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| Formula |
C17H11F4N5O
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| Molecular Weight |
377.301
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| Canonical SMILES |
Nc1nc(-c2ccco2)c2ncn(Cc3ccc(cc3F)C(F)(F)F)c2n1
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| InChI |
InChI=1S/C17H11F4N5O/c18-11-6-10(17(19,20)21)4-3-9(11)7-26-8-23-14-13(12-2-1-5-27-12)24-16(22)25-15(14)26/h1-6,8H,7H2,(H2,22,24,25)
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| InChIKey |
FIZHCYGMIIQLNR-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