General Information of the Compound
| Compound ID |
CP0415248
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| Compound Name |
2-propoxyethyl 3-amino-2-(4-methoxybenzoyl)-6-methyl-4-(3,4,5-trimethoxyphenyl)thieno[2,3-b]pyridine-5-carboxylate
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| Structure |
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| Formula |
C31H34N2O8S
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| Molecular Weight |
594.686
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| Canonical SMILES |
CCCOCCOC(=O)c1c(C)nc2sc(C(=O)c3ccc(OC)cc3)c(N)c2c1-c1cc(OC)c(OC)c(OC)c1
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| InChI |
InChI=1S/C31H34N2O8S/c1-7-12-40-13-14-41-31(35)23-17(2)33-30-25(24(23)19-15-21(37-4)28(39-6)22(16-19)38-5)26(32)29(42-30)27(34)18-8-10-20(36-3)11-9-18/h8-11,15-16H,7,12-14,32H2,1-6H3
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| InChIKey |
AITMMBKSZSRCAB-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