General Information of the Compound
| Compound ID |
CP0499382
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| Compound Name |
(1S,16R,17S,18R,19R)-5-chloro-4-[(4-ethoxyphenyl)methyl]-8,14,20-trioxatricyclo[14.3.1.02,7]icosa-2(7),3,5-triene-17,18,19-triol
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| Structure |
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| Formula |
C26H33ClO7
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| Molecular Weight |
492.996
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| Canonical SMILES |
CCOc1ccc(Cc2cc3[C@@H]4O[C@H](COCCCCCOc3cc2Cl)[C@@H](O)[C@H](O)[C@H]4O)cc1
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| InChI |
InChI=1S/C26H33ClO7/c1-2-32-18-8-6-16(7-9-18)12-17-13-19-21(14-20(17)27)33-11-5-3-4-10-31-15-22-23(28)24(29)25(30)26(19)34-22/h6-9,13-14,22-26,28-30H,2-5,10-12,15H2,1H3/t22-,23-,24+,25-,26+/m1/s1
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| InChIKey |
KWHJCXJWRDCRNS-RTJMFUJLSA-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