General Information of the Compound
| Compound ID |
CP0526869
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| Compound Name |
3-[[(2R)-oxolan-2-yl]methyl]-N-(2-phenoxyethyl)-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-amine
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| Structure |
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| Formula |
C18H19F3N6O2
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| Molecular Weight |
408.384
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| Canonical SMILES |
FC(F)(F)c1nc(NCCOc2ccccc2)c2nnn(C[C@H]3CCCO3)c2n1
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| InChI |
InChI=1S/C18H19F3N6O2/c19-18(20,21)17-23-15(22-8-10-29-12-5-2-1-3-6-12)14-16(24-17)27(26-25-14)11-13-7-4-9-28-13/h1-3,5-6,13H,4,7-11H2,(H,22,23,24)/t13-/m1/s1
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| InChIKey |
QYQKIPNURWHIAS-CYBMUJFWSA-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