General Information of the Compound
| Compound ID |
CP0568570
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| Compound Name |
1-[2-[4-[[1-(2,3-dihydro-1-benzofuran-5-yl)propyl-(2-methylpropyl)amino]methyl]-2-methoxyphenoxy]ethyl]pyrrolidine-2,5-dione
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| Structure |
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| Formula |
C29H38N2O5
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| Molecular Weight |
494.632
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| Canonical SMILES |
CCC(N(CC(C)C)Cc1ccc(OCCN2C(=O)CCC2=O)c(OC)c1)c1ccc2OCCc2c1
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| InChI |
InChI=1S/C29H38N2O5/c1-5-24(22-7-9-25-23(17-22)12-14-35-25)30(18-20(2)3)19-21-6-8-26(27(16-21)34-4)36-15-13-31-28(32)10-11-29(31)33/h6-9,16-17,20,24H,5,10-15,18-19H2,1-4H3
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| InChIKey |
FUGUQZLDGGXDGB-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