General Information of the Compound
| Compound ID |
CP0436381
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| Compound Name |
3-[[(2R)-oxolan-2-yl]methyl]-N-(thian-4-yl)-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-amine
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| Structure |
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| Formula |
C15H19F3N6OS
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| Molecular Weight |
388.419
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| Canonical SMILES |
FC(F)(F)c1nc(NC2CCSCC2)c2nnn(C[C@H]3CCCO3)c2n1
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| InChI |
InChI=1S/C15H19F3N6OS/c16-15(17,18)14-20-12(19-9-3-6-26-7-4-9)11-13(21-14)24(23-22-11)8-10-2-1-5-25-10/h9-10H,1-8H2,(H,19,20,21)/t10-/m1/s1
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| InChIKey |
KYSMIGHTTWEFRF-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