General Information of the Compound
| Compound ID |
CP0197231
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| Compound Name |
2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purine
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| Structure |
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| Formula |
C17H16F3N5O
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| Molecular Weight |
363.343
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| Canonical SMILES |
FC(F)(F)c1ccccc1OC1CCN(CC1)c1ncc2[nH]cnc2n1
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| InChI |
InChI=1S/C17H16F3N5O/c18-17(19,20)12-3-1-2-4-14(12)26-11-5-7-25(8-6-11)16-21-9-13-15(24-16)23-10-22-13/h1-4,9-11H,5-8H2,(H,21,22,23,24)
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| InChIKey |
YHSOKGLZUGZMOD-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