General Information of the Compound
| Compound ID |
CP0502635
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| Compound Name |
(2R,3S,4R,5R,6S)-2-Hydroxymethyl-6-(15-oxa-tricyclo[14.2.2.0*3,8*]icosa-1(19),3(8),4,6,12,16(20),17-heptaen-5-yl)-tetrahydro-pyran-3,4,5-triol
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| Structure |
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| Formula |
C25H30O6
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| Molecular Weight |
426.509
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| Canonical SMILES |
OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc2CCC\C=C\COc3ccc(Cc2c1)cc3
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| InChI |
InChI=1S/C25H30O6/c26-15-21-22(27)23(28)24(29)25(31-21)18-9-8-17-5-3-1-2-4-12-30-20-10-6-16(7-11-20)13-19(17)14-18/h2,4,6-11,14,21-29H,1,3,5,12-13,15H2/b4-2+/t21-,22-,23+,24-,25+/m1/s1
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| InChIKey |
WJSQWIJDSWCUKE-NAEZJVSPSA-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