General Information of the Compound
| Compound ID |
CP0566122
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| Compound Name |
3-(oxan-2-ylmethyl)-N-(oxolan-2-ylmethyl)-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-amine
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| Structure |
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| Formula |
C16H21F3N6O2
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| Molecular Weight |
386.378
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| Canonical SMILES |
FC(F)(F)c1nc(NCC2CCCO2)c2nnn(CC3CCCCO3)c2n1
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| InChI |
InChI=1S/C16H21F3N6O2/c17-16(18,19)15-21-13(20-8-10-5-3-7-26-10)12-14(22-15)25(24-23-12)9-11-4-1-2-6-27-11/h10-11H,1-9H2,(H,20,21,22)
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| InChIKey |
DLBMSEXWUVTVDA-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