General Information of the Compound
| Compound ID |
CP0449706
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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-(furan-2-ylmethyl)urea
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| Structure |
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| Formula |
C18H21N7O6
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| Molecular Weight |
431.409
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| Canonical SMILES |
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)NCc3ccco3)ncnc12
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| InChI |
InChI=1S/C18H21N7O6/c1-2-19-16(28)13-11(26)12(27)17(31-13)25-8-23-10-14(21-7-22-15(10)25)24-18(29)20-6-9-4-3-5-30-9/h3-5,7-8,11-13,17,26-27H,2,6H2,1H3,(H,19,28)(H2,20,21,22,24,29)/t11-,12+,13-,17+/m0/s1
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| InChIKey |
RMHGHWPCCLKLAE-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