General Information of the Compound
| Compound ID |
CP0464285
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| Compound Name |
ethyl 3-[(dimethylamino)methyl]-2-(4-methoxyphenyl)-7-[(2-methoxyphenyl)methyl]-4-oxothieno[2,3-b]pyridine-5-carboxylate
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| Structure |
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| Formula |
C28H30N2O5S
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| Molecular Weight |
506.624
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| Canonical SMILES |
CCOC(=O)c1cn(Cc2ccccc2OC)c2sc(c(CN(C)C)c2c1=O)-c1ccc(OC)cc1
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| InChI |
InChI=1S/C28H30N2O5S/c1-6-35-28(32)22-17-30(15-19-9-7-8-10-23(19)34-5)27-24(25(22)31)21(16-29(2)3)26(36-27)18-11-13-20(33-4)14-12-18/h7-14,17H,6,15-16H2,1-5H3
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| InChIKey |
QWXQHEJVLSGXPM-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