General Information of the Compound
| Compound ID |
CP0515376
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| Compound Name |
3-(oxan-2-ylmethyl)-5-(propan-2-ylsulfonylmethyl)triazolo[4,5-d]pyrimidin-7-amine
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| Structure |
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| Formula |
C14H22N6O3S
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| Molecular Weight |
354.436
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| Canonical SMILES |
CC(C)S(=O)(=O)Cc1nc(N)c2nnn(CC3CCCCO3)c2n1
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| InChI |
InChI=1S/C14H22N6O3S/c1-9(2)24(21,22)8-11-16-13(15)12-14(17-11)20(19-18-12)7-10-5-3-4-6-23-10/h9-10H,3-8H2,1-2H3,(H2,15,16,17)
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| InChIKey |
HIAYUVBFSXEZMX-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