General Information of the Compound
| Compound ID |
CP0423641
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| Compound Name |
(1R,2R,3S,3aR,8bS)-1,8b-dihydroxy-6-[[(2S,6S)-6-(hydroxymethyl)-1,4-dioxan-2-yl]oxy]-8-methoxy-3a-(4-methoxyphenyl)-N,N-dimethyl-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxamide
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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 |
COc1ccc(cc1)[C@@]12Oc3cc(O[C@H]4COC[C@H](CO)O4)cc(OC)c3[C@]1(O)[C@H](O)[C@@H]([C@H]2c1ccccc1)C(=O)N(C)C
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| InChI |
InChI=1S/C33H37NO10/c1-34(2)31(37)27-28(19-8-6-5-7-9-19)33(20-10-12-21(39-3)13-11-20)32(38,30(27)36)29-24(40-4)14-22(15-25(29)44-33)42-26-18-41-17-23(16-35)43-26/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 |
YZZOWMCNPSTCOM-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