General Information of the Compound
| Compound ID |
CP0550035
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| Compound Name |
3-(oxan-2-ylmethyl)-5-(phenylsulfanylmethyl)triazolo[4,5-d]pyrimidin-7-amine
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| Structure |
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| Formula |
C17H20N6OS
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| Molecular Weight |
356.455
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| Canonical SMILES |
Nc1nc(CSc2ccccc2)nc2n(CC3CCCCO3)nnc12
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| InChI |
InChI=1S/C17H20N6OS/c18-16-15-17(23(22-21-15)10-12-6-4-5-9-24-12)20-14(19-16)11-25-13-7-2-1-3-8-13/h1-3,7-8,12H,4-6,9-11H2,(H2,18,19,20)
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| InChIKey |
KQMKVTQGWRJHQS-UHFFFAOYSA-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