General Information of the Compound
| Compound ID |
CP0865379
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| Compound Name |
9-(5-Ethynyl-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-9H-purin-6-ol
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| Structure |
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| Formula |
C12H12N4O4
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| Molecular Weight |
276.252
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| Canonical SMILES |
C#C[C@]1(CO)O[C@@H](n2cnc3c(O)ncnc32)C[C@@H]1O
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| InChI |
InChI=1S/C12H12N4O4/c1-2-12(4-17)7(18)3-8(20-12)16-6-15-9-10(16)13-5-14-11(9)19/h1,5-8,17-18H,3-4H2,(H,13,14,19)/t7-,8+,12+/m0/s1
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| InChIKey |
MUTAKMKPKAHXMQ-JOAULVNJSA-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