General Information of the Compound
| Compound ID |
CP0529581
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| Compound Name |
1-[2-[4-[[1-(2,3-dihydro-1-benzofuran-5-yl)butyl-methylamino]methyl]-2-methoxyphenoxy]ethyl]pyrrolidine-2,5-dione
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| Structure |
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| Formula |
C27H34N2O5
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| Molecular Weight |
466.578
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| Canonical SMILES |
CCCC(N(C)Cc1ccc(OCCN2C(=O)CCC2=O)c(OC)c1)c1ccc2OCCc2c1
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| InChI |
InChI=1S/C27H34N2O5/c1-4-5-22(20-7-9-23-21(17-20)12-14-33-23)28(2)18-19-6-8-24(25(16-19)32-3)34-15-13-29-26(30)10-11-27(29)31/h6-9,16-17,22H,4-5,10-15,18H2,1-3H3
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| InChIKey |
YNZIBFAJVQPLGJ-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