General Information of the Compound
| Compound ID |
CP0498621
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| Compound Name |
2-methoxyethyl 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 |
C29H30N2O8S
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| Molecular Weight |
566.632
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| Canonical SMILES |
COCCOC(=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/C29H30N2O8S/c1-15-21(29(33)39-12-11-34-2)22(17-13-19(36-4)26(38-6)20(14-17)37-5)23-24(30)27(40-28(23)31-15)25(32)16-7-9-18(35-3)10-8-16/h7-10,13-14H,11-12,30H2,1-6H3
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| InChIKey |
FZGHBCFGCSMRTK-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
Protein ID: PT02718, Broad substrate specificity ATP-binding cassette transporter ABCG2
Protein ID: PT02516, Multidrug resistance-associated protein 1