General Information of the Compound
| Compound ID |
CP0507373
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| Compound Name |
3-(oxan-2-ylmethyl)-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-amine
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| Structure |
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| Formula |
C11H13F3N6O
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| Molecular Weight |
302.26
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| Canonical SMILES |
Nc1nc(nc2n(CC3CCCCO3)nnc12)C(F)(F)F
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| InChI |
InChI=1S/C11H13F3N6O/c12-11(13,14)10-16-8(15)7-9(17-10)20(19-18-7)5-6-3-1-2-4-21-6/h6H,1-5H2,(H2,15,16,17)
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| InChIKey |
REMXRXWOSHEMEB-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