General Information of the Compound
| Compound ID |
CP0442548
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| Compound Name |
1-(9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxy-tetrahydrofuran-2-yl)-9H-purin-6-yl)-3-((R)-1-phenylethyl)urea
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| Structure |
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| Formula |
C21H25N7O5
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| Molecular Weight |
455.475
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| Canonical SMILES |
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)N[C@H](C)c3ccccc3)ncnc12
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| InChI |
InChI=1S/C21H25N7O5/c1-3-22-19(31)16-14(29)15(30)20(33-16)28-10-25-13-17(23-9-24-18(13)28)27-21(32)26-11(2)12-7-5-4-6-8-12/h4-11,14-16,20,29-30H,3H2,1-2H3,(H,22,31)(H2,23,24,26,27,32)/t11-,14+,15-,16+,20-/m1/s1
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| InChIKey |
YYTIZLABOXFLTR-LMNWYZMXSA-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