General Information of the Compound
| Compound ID |
CP0544671
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| Compound Name |
3-[[(2R)-oxolan-2-yl]methyl]-N-(3-phenylpropyl)-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-amine
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| Structure |
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| Formula |
C19H21F3N6O
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| Molecular Weight |
406.412
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| Canonical SMILES |
FC(F)(F)c1nc(NCCCc2ccccc2)c2nnn(C[C@H]3CCCO3)c2n1
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| InChI |
InChI=1S/C19H21F3N6O/c20-19(21,22)18-24-16(23-10-4-8-13-6-2-1-3-7-13)15-17(25-18)28(27-26-15)12-14-9-5-11-29-14/h1-3,6-7,14H,4-5,8-12H2,(H,23,24,25)/t14-/m1/s1
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| InChIKey |
ALWFSHXFHSOTSC-CQSZACIVSA-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