General Information of the Compound
| Compound ID |
CP0541455
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| Compound Name |
3-(oxan-2-ylmethyl)-5-thiophen-2-yltriazolo[4,5-d]pyrimidin-7-amine
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| Structure |
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| Formula |
C14H16N6OS
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| Molecular Weight |
316.39
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| Canonical SMILES |
Nc1nc(nc2n(CC3CCCCO3)nnc12)-c1cccs1
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| InChI |
InChI=1S/C14H16N6OS/c15-12-11-14(17-13(16-12)10-5-3-7-22-10)20(19-18-11)8-9-4-1-2-6-21-9/h3,5,7,9H,1-2,4,6,8H2,(H2,15,16,17)
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| InChIKey |
OWBNUPQLRZUHKG-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