General Information of the Compound
| Compound ID |
CP0544666
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| Compound Name |
N-(3-methylbutyl)-3-[[(2R)-oxolan-2-yl]methyl]-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-amine
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| Structure |
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| Formula |
C15H21F3N6O
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| Molecular Weight |
358.368
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| Canonical SMILES |
CC(C)CCNc1nc(nc2n(C[C@H]3CCCO3)nnc12)C(F)(F)F
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| InChI |
InChI=1S/C15H21F3N6O/c1-9(2)5-6-19-12-11-13(21-14(20-12)15(16,17)18)24(23-22-11)8-10-4-3-7-25-10/h9-10H,3-8H2,1-2H3,(H,19,20,21)/t10-/m1/s1
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| InChIKey |
NDSHMXYMLHTZAV-SNVBAGLBSA-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