General Information of the Compound
| Compound ID |
CP0511523
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| Compound Name |
(1S,13R,14S,15R,16R)-5-chloro-4-[(4-ethoxyphenyl)methyl]-8,11,17-trioxatricyclo[11.3.1.02,7]heptadeca-2(7),3,5-triene-14,15,16-triol
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| Structure |
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| Formula |
C23H27ClO7
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| Molecular Weight |
450.915
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| Canonical SMILES |
CCOc1ccc(Cc2cc3[C@@H]4O[C@H](COCCOc3cc2Cl)[C@@H](O)[C@H](O)[C@H]4O)cc1
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| InChI |
InChI=1S/C23H27ClO7/c1-2-29-15-5-3-13(4-6-15)9-14-10-16-18(11-17(14)24)30-8-7-28-12-19-20(25)21(26)22(27)23(16)31-19/h3-6,10-11,19-23,25-27H,2,7-9,12H2,1H3/t19-,20-,21+,22-,23+/m1/s1
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| InChIKey |
VISSDRDWSZZTOL-ZQGJOIPISA-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