General Information of the Compound
| Compound ID |
CP0514539
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| Compound Name |
1-[2-[4-[[1-(2,3-dihydro-1-benzofuran-5-yl)butylamino]methyl]-2-methoxyphenoxy]ethyl]pyrrolidine-2,5-dione
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| Structure |
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| Formula |
C26H32N2O5
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| Molecular Weight |
452.551
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| Canonical SMILES |
CCCC(NCc1ccc(OCCN2C(=O)CCC2=O)c(OC)c1)c1ccc2OCCc2c1
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| InChI |
InChI=1S/C26H32N2O5/c1-3-4-21(19-6-8-22-20(16-19)11-13-32-22)27-17-18-5-7-23(24(15-18)31-2)33-14-12-28-25(29)9-10-26(28)30/h5-8,15-16,21,27H,3-4,9-14,17H2,1-2H3
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| InChIKey |
BCLUULCRAJKGPA-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