General Information of the Compound
| Compound ID |
CP0430366
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| Compound Name |
1-(9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxy-tetrahydrofuran-2-yl)-2-(5-phenylpent-1-ynyl)-9H-purin-6-yl)-3-(4-methoxyphenyl)urea
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| Structure |
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| Formula |
C31H33N7O6
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| Molecular Weight |
599.648
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| Canonical SMILES |
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(OC)cc3)nc(nc12)C#CCCCc1ccccc1
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| InChI |
InChI=1S/C31H33N7O6/c1-3-32-29(41)26-24(39)25(40)30(44-26)38-18-33-23-27(37-31(42)34-20-14-16-21(43-2)17-15-20)35-22(36-28(23)38)13-9-5-8-12-19-10-6-4-7-11-19/h4,6-7,10-11,14-18,24-26,30,39-40H,3,5,8,12H2,1-2H3,(H,32,41)(H2,34,35,36,37,42)/t24-,25+,26-,30+/m0/s1
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| InChIKey |
SDALNHRMLOKYJO-YRIIQKNPSA-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