General Information of the Compound
| Compound ID |
CP0419610
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| Compound Name |
1-[2-[4-[[[1-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutyl]amino]methyl]-2-methoxyphenoxy]ethyl]pyrrolidine-2,5-dione
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| Structure |
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| Formula |
C27H34N2O5
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| Molecular Weight |
466.578
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| Canonical SMILES |
COc1cc(CNC(CC(C)C)c2ccc3OCCc3c2)ccc1OCCN1C(=O)CCC1=O
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| InChI |
InChI=1S/C27H34N2O5/c1-18(2)14-22(20-5-7-23-21(16-20)10-12-33-23)28-17-19-4-6-24(25(15-19)32-3)34-13-11-29-26(30)8-9-27(29)31/h4-7,15-16,18,22,28H,8-14,17H2,1-3H3
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| InChIKey |
KJMHIONUOBNANI-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