General Information of the Compound
| Compound ID |
CP0415243
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| Compound Name |
methyl 3-amino-4-(3,4-dimethoxyphenyl)-2-(4-methoxybenzoyl)-6-methylthieno[2,3-b]pyridine-5-carboxylate
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| Structure |
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| Formula |
C26H24N2O6S
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| Molecular Weight |
492.553
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| Canonical SMILES |
COC(=O)c1c(C)nc2sc(C(=O)c3ccc(OC)cc3)c(N)c2c1-c1ccc(OC)c(OC)c1
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| InChI |
InChI=1S/C26H24N2O6S/c1-13-19(26(30)34-5)20(15-8-11-17(32-3)18(12-15)33-4)21-22(27)24(35-25(21)28-13)23(29)14-6-9-16(31-2)10-7-14/h6-12H,27H2,1-5H3
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| InChIKey |
HYUMLAJQSZEPRH-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