General Information of the Compound
| Compound ID |
CP0525666
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| Compound Name |
3-[2-[4-[[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl-methylamino]methyl]-2-methoxyphenoxy]ethyl]-1-methylimidazolidine-2,4-dione
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| Structure |
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| Formula |
C25H31N3O5
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| Molecular Weight |
453.539
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| Canonical SMILES |
COc1cc(CN(C)C(C)c2ccc3OCCc3c2)ccc1OCCN1C(=O)CN(C)C1=O
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| InChI |
InChI=1S/C25H31N3O5/c1-17(19-6-8-21-20(14-19)9-11-32-21)26(2)15-18-5-7-22(23(13-18)31-4)33-12-10-28-24(29)16-27(3)25(28)30/h5-8,13-14,17H,9-12,15-16H2,1-4H3
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| InChIKey |
NJVQAWSOVXFONW-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