General Information of the Compound
| Compound ID |
CP0506414
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| Compound Name |
5-(imidazol-1-ylmethyl)-3-(oxan-2-ylmethyl)triazolo[4,5-d]pyrimidin-7-amine
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| Structure |
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| Formula |
C14H18N8O
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| Molecular Weight |
314.353
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| Canonical SMILES |
Nc1nc(Cn2ccnc2)nc2n(CC3CCCCO3)nnc12
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| InChI |
InChI=1S/C14H18N8O/c15-13-12-14(18-11(17-13)8-21-5-4-16-9-21)22(20-19-12)7-10-3-1-2-6-23-10/h4-5,9-10H,1-3,6-8H2,(H2,15,17,18)
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| InChIKey |
LJDJCOAWTJYWDV-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