General Information of the Compound
| Compound ID |
CP0543267
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| Compound Name |
4-[[1-(2,3-dihydro-1-benzofuran-5-yl)propyl-[[4-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]-3-methoxyphenyl]methyl]amino]methyl]benzoic acid
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| Structure |
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| Formula |
C33H36N2O7
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| Molecular Weight |
572.658
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| Canonical SMILES |
CCC(N(Cc1ccc(cc1)C(O)=O)Cc1ccc(OCCN2C(=O)CCC2=O)c(OC)c1)c1ccc2OCCc2c1
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| InChI |
InChI=1S/C33H36N2O7/c1-3-27(25-9-11-28-26(19-25)14-16-41-28)34(20-22-4-7-24(8-5-22)33(38)39)21-23-6-10-29(30(18-23)40-2)42-17-15-35-31(36)12-13-32(35)37/h4-11,18-19,27H,3,12-17,20-21H2,1-2H3,(H,38,39)
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| InChIKey |
RABHLYDMTOSTDX-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