General Information of the Compound
| Compound ID |
CP0499384
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| Compound Name |
(1S,16R,17S,18R,19R)-5-chloro-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-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 |
C26H31ClO8
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| Molecular Weight |
506.979
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| Canonical SMILES |
O[C@H]1[C@H](O)[C@H]2COCCCCCOc3cc(Cl)c(Cc4ccc5OCCOc5c4)cc3[C@H](O2)[C@@H]1O
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| InChI |
InChI=1S/C26H31ClO8/c27-18-13-20-17(12-16(18)10-15-4-5-19-21(11-15)34-9-8-33-19)26-25(30)24(29)23(28)22(35-26)14-31-6-2-1-3-7-32-20/h4-5,11-13,22-26,28-30H,1-3,6-10,14H2/t22-,23-,24+,25-,26+/m1/s1
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| InChIKey |
IGSIKVWEKSFVBY-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