General Information of the Compound
| Compound ID |
CP0559960
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| Compound Name |
4-[[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl-[[4-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]-3-methoxyphenyl]methyl]amino]methyl]bicyclo[2.2.2]octane-1-carboxylic acid
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| Structure |
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| Formula |
C34H42N2O7
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| Molecular Weight |
590.717
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| Canonical SMILES |
COc1cc(CN(CC23CCC(CC2)(CC3)C(O)=O)C(C)c2ccc3OCCc3c2)ccc1OCCN1C(=O)CCC1=O
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| InChI |
InChI=1S/C34H42N2O7/c1-23(25-4-6-27-26(20-25)9-17-42-27)35(22-33-10-13-34(14-11-33,15-12-33)32(39)40)21-24-3-5-28(29(19-24)41-2)43-18-16-36-30(37)7-8-31(36)38/h3-6,19-20,23H,7-18,21-22H2,1-2H3,(H,39,40)
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| InChIKey |
OWTFBTDEMIWAAL-UHFFFAOYSA-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