General Information of the Compound
| Compound ID |
CP0453490
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| Compound Name |
methyl (1R,2R,3S,3aR,8bS)-1,8b-dihydroxy-6-[(2S,6S)-6-(hydroxymethyl)oxan-2-yl]oxy-8-methoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxylate
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| Structure |
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| Formula |
C33H36O10
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| Molecular Weight |
592.641
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| Canonical SMILES |
COC(=O)[C@H]1[C@@H](O)[C@@]2(O)c3c(O[C@]2([C@@H]1c1ccccc1)c1ccc(OC)cc1)cc(O[C@H]1CCC[C@@H](CO)O1)cc3OC
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| InChI |
InChI=1S/C33H36O10/c1-38-21-14-12-20(13-15-21)33-28(19-8-5-4-6-9-19)27(31(36)40-3)30(35)32(33,37)29-24(39-2)16-23(17-25(29)43-33)42-26-11-7-10-22(18-34)41-26/h4-6,8-9,12-17,22,26-28,30,34-35,37H,7,10-11,18H2,1-3H3/t22-,26-,27+,28+,30+,32-,33-/m0/s1
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| InChIKey |
QJTDBNUOGMBVKE-XIDCDTCBSA-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