General Information of the Compound
| Compound ID |
CP0481220
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| Compound Name |
(2S,3S,4R,5R)-5-(6-(2-chlorobenzamido)-9H-purin-9-yl)-N-ethyl-3,4-dihydroxy-tetrahydrofuran-2-carboxamide
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| Structure |
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| Formula |
C19H19ClN6O5
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| Molecular Weight |
446.851
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| Canonical SMILES |
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)c3ccccc3Cl)ncnc12
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| InChI |
InChI=1S/C19H19ClN6O5/c1-2-21-18(30)14-12(27)13(28)19(31-14)26-8-24-11-15(22-7-23-16(11)26)25-17(29)9-5-3-4-6-10(9)20/h3-8,12-14,19,27-28H,2H2,1H3,(H,21,30)(H,22,23,25,29)/t12-,13+,14-,19+/m0/s1
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| InChIKey |
MNYDMFMNLHBJHR-SSHHRWTQSA-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