General Information of the Compound
| Compound ID |
CP0562280
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| Compound Name |
1-[2-[4-[[[1-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutyl]-methylamino]methyl]-2-methoxyphenoxy]ethyl]pyrrolidine-2,5-dione
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| Structure |
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| Formula |
C28H36N2O5
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| Molecular Weight |
480.605
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| Canonical SMILES |
COc1cc(CN(C)C(CC(C)C)c2ccc3OCCc3c2)ccc1OCCN1C(=O)CCC1=O
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| InChI |
InChI=1S/C28H36N2O5/c1-19(2)15-23(21-6-8-24-22(17-21)11-13-34-24)29(3)18-20-5-7-25(26(16-20)33-4)35-14-12-30-27(31)9-10-28(30)32/h5-8,16-17,19,23H,9-15,18H2,1-4H3
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| InChIKey |
KARPJIIDJPEDOK-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