General Information of the Compound
| Compound ID |
CP0562279
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| Compound Name |
3-[2-[4-[[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl-methylamino]methyl]-2-methoxyphenoxy]ethyl]-1,3-thiazolidine-2,4-dione
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| Structure |
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| Formula |
C24H28N2O5S
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| Molecular Weight |
456.564
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| Canonical SMILES |
COc1cc(CN(C)C(C)c2ccc3OCCc3c2)ccc1OCCN1C(=O)CSC1=O
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| InChI |
InChI=1S/C24H28N2O5S/c1-16(18-5-7-20-19(13-18)8-10-30-20)25(2)14-17-4-6-21(22(12-17)29-3)31-11-9-26-23(27)15-32-24(26)28/h4-7,12-13,16H,8-11,14-15H2,1-3H3
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| InChIKey |
MHCRYSMPKCIWGG-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