General Information of the Compound
| Compound ID |
CP0453411
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| Compound Name |
((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl 7-((8R,9S,13S,14S,16S,17S)-3,17-dihydroxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-16-yl)heptanoate
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| Structure |
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| Formula |
C36H49N5O7
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| Molecular Weight |
663.816
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| Canonical SMILES |
C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1C[C@H](CCCCCCCC(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc3c(N)ncnc13)[C@@H]2O
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| InChI |
InChI=1S/C36H49N5O7/c1-36-14-13-24-23-12-10-22(42)15-20(23)9-11-25(24)26(36)16-21(32(36)46)7-5-3-2-4-6-8-28(43)47-17-27-30(44)31(45)35(48-27)41-19-40-29-33(37)38-18-39-34(29)41/h10,12,15,18-19,21,24-27,30-32,35,42,44-46H,2-9,11,13-14,16-17H2,1H3,(H2,37,38,39)/t21-,24+,25+,26-,27+,30+,31+,32-,35+,36-/m0/s1
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| InChIKey |
FRPPMZBCPREMIZ-CNOKREJKSA-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