General Information of the Compound
| Compound ID |
CP0515379
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| Compound Name |
3-[[(2R)-4-[(4-ethyl-1,3-thiazol-2-yl)methyl]morpholin-2-yl]methyl]-5-methyltriazolo[4,5-d]pyrimidin-7-amine
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| Structure |
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| Formula |
C16H22N8OS
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| Molecular Weight |
374.474
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| Canonical SMILES |
CCc1csc(CN2CCO[C@@H](Cn3nnc4c(N)nc(C)nc34)C2)n1
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| InChI |
InChI=1S/C16H22N8OS/c1-3-11-9-26-13(20-11)8-23-4-5-25-12(6-23)7-24-16-14(21-22-24)15(17)18-10(2)19-16/h9,12H,3-8H2,1-2H3,(H2,17,18,19)/t12-/m1/s1
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| InChIKey |
SHQUPZHSVZUIHV-GFCCVEGCSA-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