General Information of the Compound
| Compound ID |
CP0557833
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| Compound Name |
3-(oxan-2-ylmethyl)-5-(thiophen-2-ylmethyl)triazolo[4,5-d]pyrimidin-7-amine
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| Structure |
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| Formula |
C15H18N6OS
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| Molecular Weight |
330.417
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| Canonical SMILES |
Nc1nc(Cc2cccs2)nc2n(CC3CCCCO3)nnc12
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| InChI |
InChI=1S/C15H18N6OS/c16-14-13-15(18-12(17-14)8-11-5-3-7-23-11)21(20-19-13)9-10-4-1-2-6-22-10/h3,5,7,10H,1-2,4,6,8-9H2,(H2,16,17,18)
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| InChIKey |
RRZUIOWJAIPWAH-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