General Information of the Compound
| Compound ID |
CP0519758
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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]butanoic acid
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| Structure |
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| Formula |
C28H34N2O7
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| Molecular Weight |
510.587
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| Canonical SMILES |
COc1cc(CN(CCCC(O)=O)C(C)c2ccc3OCCc3c2)ccc1OCCN1C(=O)CCC1=O
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| InChI |
InChI=1S/C28H34N2O7/c1-19(21-6-8-23-22(17-21)11-14-36-23)29(12-3-4-28(33)34)18-20-5-7-24(25(16-20)35-2)37-15-13-30-26(31)9-10-27(30)32/h5-8,16-17,19H,3-4,9-15,18H2,1-2H3,(H,33,34)
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| InChIKey |
HAVGLJPACFJXNN-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