General Information of the Compound
| Compound ID |
CP0529580
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| Compound Name |
1-[2-[4-[[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl-methylamino]methyl]-2-methylphenoxy]ethyl]pyrrolidine-2,5-dione
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| Structure |
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| Formula |
C25H30N2O4
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| Molecular Weight |
422.525
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| Canonical SMILES |
CC(N(C)Cc1ccc(OCCN2C(=O)CCC2=O)c(C)c1)c1ccc2OCCc2c1
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| InChI |
InChI=1S/C25H30N2O4/c1-17-14-19(4-6-22(17)31-13-11-27-24(28)8-9-25(27)29)16-26(3)18(2)20-5-7-23-21(15-20)10-12-30-23/h4-7,14-15,18H,8-13,16H2,1-3H3
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| InChIKey |
PRCIPENVSRNOHS-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