General Information of the Compound
| Compound ID |
CP0485824
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| Compound Name |
5'-O-{11-[3',17'beta-dihydroxy-1',3',5'(10')-estratrien-16'alpha/beta-yl]-undecanoyl} adenosine
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| Structure |
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| Formula |
C39H55N5O7
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| Molecular Weight |
705.897
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| Canonical SMILES |
C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC(CCCCCCCCCCC(=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/C39H55N5O7/c1-39-17-16-27-26-15-13-25(45)18-23(26)12-14-28(27)29(39)19-24(35(39)49)10-8-6-4-2-3-5-7-9-11-31(46)50-20-30-33(47)34(48)38(51-30)44-22-43-32-36(40)41-21-42-37(32)44/h13,15,18,21-22,24,27-30,33-35,38,45,47-49H,2-12,14,16-17,19-20H2,1H3,(H2,40,41,42)/t24?,27-,28-,29+,30-,33-,34-,35+,38-,39+/m1/s1
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| InChIKey |
DPLBFKGCEFASTL-FNFZMYQISA-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