General Information of the Compound
| Compound ID |
CP0450860
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| Compound Name |
(1S,16R,17S,18R,19R)-5-chloro-4-[(4-methylsulfanylphenyl)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 |
C25H31ClO6S
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| Molecular Weight |
495.037
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| Canonical SMILES |
CSc1ccc(Cc2cc3[C@@H]4O[C@H](COCCCCCOc3cc2Cl)[C@@H](O)[C@H](O)[C@H]4O)cc1
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| InChI |
InChI=1S/C25H31ClO6S/c1-33-17-7-5-15(6-8-17)11-16-12-18-20(13-19(16)26)31-10-4-2-3-9-30-14-21-22(27)23(28)24(29)25(18)32-21/h5-8,12-13,21-25,27-29H,2-4,9-11,14H2,1H3/t21-,22-,23+,24-,25+/m1/s1
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| InChIKey |
JLLGTIOLQFBCGJ-RXFVIIJJSA-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