General Information of the Compound
| Compound ID |
CP0389026
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| Compound Name |
(1S,15R,16S,17R,18R)-5-chloro-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-8,13,19-trioxatricyclo[13.3.1.02,7]nonadeca-2(7),3,5-triene-16,17,18-triol
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| Structure |
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| Formula |
C25H29ClO8
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| Molecular Weight |
492.952
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| Canonical SMILES |
O[C@H]1[C@H](O)[C@H]2COCCCCOc3cc(Cl)c(Cc4ccc5OCCOc5c4)cc3[C@H](O2)[C@@H]1O
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| InChI |
InChI=1S/C25H29ClO8/c26-17-12-19-16(11-15(17)9-14-3-4-18-20(10-14)33-8-7-32-18)25-24(29)23(28)22(27)21(34-25)13-30-5-1-2-6-31-19/h3-4,10-12,21-25,27-29H,1-2,5-9,13H2/t21-,22-,23+,24-,25+/m1/s1
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| InChIKey |
NWXNQOPEBMMIML-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