General Information of the Compound
| Compound ID |
CP0438843
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| Compound Name |
1-[4-[(dimethylamino)methyl]-5-hydroxy-2-(phenylsulfanylmethyl)-1-benzofuran-3-yl]ethanone
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| Structure |
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| Formula |
C20H21NO3S
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| Molecular Weight |
355.459
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| Canonical SMILES |
CN(C)Cc1c(O)ccc2oc(CSc3ccccc3)c(C(C)=O)c12
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| InChI |
InChI=1S/C20H21NO3S/c1-13(22)19-18(12-25-14-7-5-4-6-8-14)24-17-10-9-16(23)15(20(17)19)11-21(2)3/h4-10,23H,11-12H2,1-3H3
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| InChIKey |
WWJHAODAHXBVMC-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