General Information of the Compound
| Compound ID |
CP0398294
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| Compound Name |
1-[2-[4-[[[(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-methylamino]methyl]-2-methoxyphenoxy]ethyl]pyrrolidine-2,5-dione
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| Structure |
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| Formula |
C25H30N2O5
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| Molecular Weight |
438.524
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| Canonical SMILES |
COc1cc(CN(C)[C@@H](C)c2ccc3OCCc3c2)ccc1OCCN1C(=O)CCC1=O
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| InChI |
InChI=1S/C25H30N2O5/c1-17(19-5-7-21-20(15-19)10-12-31-21)26(2)16-18-4-6-22(23(14-18)30-3)32-13-11-27-24(28)8-9-25(27)29/h4-7,14-15,17H,8-13,16H2,1-3H3/t17-/m0/s1
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| InChIKey |
BSNWZBYWVSWGSR-KRWDZBQOSA-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