General Information of the Compound
| Compound ID |
CP0392809
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| Compound Name |
((S)-1-Naphthalen-1-yl-ethyl)-carbamic acid 4-benzo[1,3]dioxol-5-yl-2-(4-methoxy-phenyl)-5-oxo-3-(3,4,5-trimethoxy-benzyl)-2,5-dihydro-furan-2-yl ester
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| Structure |
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| Formula |
C41H37NO10
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| Molecular Weight |
703.744
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| Canonical SMILES |
COc1ccc(cc1)C1(OC(=O)N[C@@H](C)c2cccc3ccccc23)OC(=O)C(=C1Cc1cc(OC)c(OC)c(OC)c1)c1ccc2OCOc2c1
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| InChI |
InChI=1S/C41H37NO10/c1-24(30-12-8-10-26-9-6-7-11-31(26)30)42-40(44)52-41(28-14-16-29(45-2)17-15-28)32(19-25-20-35(46-3)38(48-5)36(21-25)47-4)37(39(43)51-41)27-13-18-33-34(22-27)50-23-49-33/h6-18,20-22,24H,19,23H2,1-5H3,(H,42,44)/t24-,41?/m0/s1
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| InChIKey |
FFJYBEOEJYDRNP-JDRJKRQWSA-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