General Information of the Compound
| Compound ID |
CP0530214
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| Compound Name |
(2S,3S,4R)-5-[6-[(3-acetamidophenyl)methylamino]purin-9-yl]-3,4-dihydroxy-N-methyloxolane-2-carboxamide
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| Structure |
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| Formula |
C20H23N7O5
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| Molecular Weight |
441.448
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| Canonical SMILES |
CNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(NC(C)=O)c3)ncnc12
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| InChI |
InChI=1S/C20H23N7O5/c1-10(28)26-12-5-3-4-11(6-12)7-22-17-13-18(24-8-23-17)27(9-25-13)20-15(30)14(29)16(32-20)19(31)21-2/h3-6,8-9,14-16,20,29-30H,7H2,1-2H3,(H,21,31)(H,26,28)(H,22,23,24)/t14-,15+,16-,20?/m0/s1
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| InChIKey |
RLAGMOHSCDTLJM-BITNSZHFSA-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