General Information of the Compound
| Compound ID |
CP0310979
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| Compound Name |
8-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purin-6-amine
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| Structure |
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| Formula |
C17H17F3N6O
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| Molecular Weight |
378.358
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| Canonical SMILES |
Nc1ncnc2nc([nH]c12)N1CCC(CC1)Oc1ccccc1C(F)(F)F
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| InChI |
InChI=1S/C17H17F3N6O/c18-17(19,20)11-3-1-2-4-12(11)27-10-5-7-26(8-6-10)16-24-13-14(21)22-9-23-15(13)25-16/h1-4,9-10H,5-8H2,(H3,21,22,23,24,25)
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| InChIKey |
CJZNKOIMXMXMTI-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