General Information of the Compound
| Compound ID |
CP0402781
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| Compound Name |
(1R,2S,3S,5R,8R,11R,12R)-5-(2-bromofuran-3-yl)-12-hydroxy-3,11-dimethyl-6,14-dioxatetracyclo[10.2.2.02,11.03,8]hexadec-15-ene-7,13-dione
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| Structure |
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| Formula |
C20H21BrO6
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| Molecular Weight |
437.286
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| Canonical SMILES |
C[C@@]12C[C@@H](OC(=O)[C@@H]1CC[C@]1(C)[C@H]2[C@@H]2OC(=O)[C@@]1(O)C=C2)c1ccoc1Br
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| InChI |
InChI=1S/C20H21BrO6/c1-18-9-13(10-5-8-25-15(10)21)26-16(22)11(18)3-6-19(2)14(18)12-4-7-20(19,24)17(23)27-12/h4-5,7-8,11-14,24H,3,6,9H2,1-2H3/t11-,12+,13+,14-,18+,19+,20-/m0/s1
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| InChIKey |
WAINXEQGLKGUAC-HFFQWZACSA-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