General Information of the Compound
| Compound ID |
CP0521540
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| Compound Name |
((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl 8-((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)octanoate
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| Structure |
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| Formula |
C35H47N5O7
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| Molecular Weight |
649.789
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| Canonical SMILES |
C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1C[C@H](CCCCCCC(=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/C35H47N5O7/c1-35-13-12-23-22-11-9-21(41)14-19(22)8-10-24(23)25(35)15-20(31(35)45)6-4-2-3-5-7-27(42)46-16-26-29(43)30(44)34(47-26)40-18-39-28-32(36)37-17-38-33(28)40/h9,11,14,17-18,20,23-26,29-31,34,41,43-45H,2-8,10,12-13,15-16H2,1H3,(H2,36,37,38)/t20-,23+,24+,25-,26+,29+,30+,31-,34+,35-/m0/s1
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| InChIKey |
VPRATOUVRXADAL-MPDQEEKUSA-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