General Information of the Compound
| Compound ID |
CP0396959
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| Compound Name |
ethyl 3-amino-2-benzoyl-6-methyl-4-(3,4,5-trimethoxyphenyl)thieno[2,3-b]pyridine-5-carboxylate
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| Structure |
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| Formula |
C27H26N2O6S
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| Molecular Weight |
506.58
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| Canonical SMILES |
CCOC(=O)c1c(C)nc2sc(C(=O)c3ccccc3)c(N)c2c1-c1cc(OC)c(OC)c(OC)c1
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| InChI |
InChI=1S/C27H26N2O6S/c1-6-35-27(31)19-14(2)29-26-21(22(28)25(36-26)23(30)15-10-8-7-9-11-15)20(19)16-12-17(32-3)24(34-5)18(13-16)33-4/h7-13H,6,28H2,1-5H3
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| InChIKey |
YVAONDGDDPOVIC-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