General Information of the Compound
| Compound ID |
CP0466110
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| Compound Name |
(2S,3S,4R,5R)-5-[6-[(3-chlorophenyl)carbamoylamino]purin-9-yl]-3,4-dihydroxy-N-methyloxolane-2-carboxamide
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| Structure |
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| Formula |
C18H18ClN7O5
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| Molecular Weight |
447.839
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| Canonical SMILES |
CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3cccc(Cl)c3)ncnc12
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| InChI |
InChI=1S/C18H18ClN7O5/c1-20-16(29)13-11(27)12(28)17(31-13)26-7-23-10-14(21-6-22-15(10)26)25-18(30)24-9-4-2-3-8(19)5-9/h2-7,11-13,17,27-28H,1H3,(H,20,29)(H2,21,22,24,25,30)/t11-,12+,13-,17+/m0/s1
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| InChIKey |
SDGRGNLJHTUVQL-PFHKOEEOSA-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