General Information of the Compound
| Compound ID |
CP0423639
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| Compound Name |
methyl (1R,2R,3S,3aR,8bS)-1,8b-dihydroxy-6-[(2S,6S)-6-(hydroxymethyl)-4-methylmorpholin-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 |
C33H37NO10
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| Molecular Weight |
607.656
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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]1CN(C)C[C@@H](CO)O1)cc3OC
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| InChI |
InChI=1S/C33H37NO10/c1-34-16-23(18-35)43-26(17-34)42-22-14-24(40-3)29-25(15-22)44-33(20-10-12-21(39-2)13-11-20)28(19-8-6-5-7-9-19)27(31(37)41-4)30(36)32(29,33)38/h5-15,23,26-28,30,35-36,38H,16-18H2,1-4H3/t23-,26+,27+,28+,30+,32-,33-/m0/s1
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| InChIKey |
CQOOLIUECQEFKP-CVGIZIDSSA-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