General Information of the Compound
| Compound ID |
CP0514534
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| Compound Name |
1-[2-[4-[[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl-(2,3-dihydro-1-benzofuran-5-ylmethyl)amino]methyl]-2-methoxyphenoxy]ethyl]pyrrolidine-2,5-dione
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| Structure |
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| Formula |
C33H36N2O6
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| Molecular Weight |
556.659
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| Canonical SMILES |
COc1cc(CN(Cc2ccc3OCCc3c2)C(C)c2ccc3OCCc3c2)ccc1OCCN1C(=O)CCC1=O
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| InChI |
InChI=1S/C33H36N2O6/c1-22(25-5-8-29-27(19-25)12-15-40-29)34(20-23-3-6-28-26(17-23)11-14-39-28)21-24-4-7-30(31(18-24)38-2)41-16-13-35-32(36)9-10-33(35)37/h3-8,17-19,22H,9-16,20-21H2,1-2H3
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| InChIKey |
GKAAMMXKKPQFGO-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