General Information of the Compound
| Compound ID |
CP0466558
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| Compound Name |
(1S,17R,18S,19R,20R)-5-chloro-4-[(4-ethoxyphenyl)methyl]-8,15,21-trioxatricyclo[15.3.1.02,7]henicosa-2(7),3,5-triene-18,19,20-triol
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| Structure |
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| Formula |
C27H35ClO7
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| Molecular Weight |
507.023
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| Canonical SMILES |
CCOc1ccc(Cc2cc3[C@@H]4O[C@H](COCCCCCCOc3cc2Cl)[C@@H](O)[C@H](O)[C@H]4O)cc1
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| InChI |
InChI=1S/C27H35ClO7/c1-2-33-19-9-7-17(8-10-19)13-18-14-20-22(15-21(18)28)34-12-6-4-3-5-11-32-16-23-24(29)25(30)26(31)27(20)35-23/h7-10,14-15,23-27,29-31H,2-6,11-13,16H2,1H3/t23-,24-,25+,26-,27+/m1/s1
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| InChIKey |
LSQYXEMRKZPISL-SEFGFODJSA-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