General Information of the Compound
| Compound ID |
CP0969559
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| Compound Name |
4-amino-5-[2-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methylsulfanyl]ethyl]-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one
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| Structure |
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| Formula |
C21H28N8O7S
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| Molecular Weight |
536.571
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| Canonical SMILES |
Nc1nc(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1CCSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O
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| InChI |
InChI=1S/C21H28N8O7S/c22-17-9(4-28(21(34)27-17)13-3-10(31)11(5-30)35-13)1-2-37-6-12-15(32)16(33)20(36-12)29-8-26-14-18(23)24-7-25-19(14)29/h4,7-8,10-13,15-16,20,30-33H,1-3,5-6H2,(H2,22,27,34)(H2,23,24,25)/t10-,11+,12+,13+,15+,16+,20+/m0/s1
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| InChIKey |
XDELFONZCZTHLD-FZQXZCJRSA-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