General Information of the Compound
| Compound ID |
CP0416418
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| Compound Name |
ethyl 3-amino-2-(4-methoxybenzoyl)-4,6-bis(3,4,5-trimethoxyphenyl)thieno[2,3-b]pyridine-5-carboxylate
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| Structure |
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| Formula |
C36H36N2O10S
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| Molecular Weight |
688.755
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| Canonical SMILES |
CCOC(=O)c1c(nc2sc(C(=O)c3ccc(OC)cc3)c(N)c2c1-c1cc(OC)c(OC)c(OC)c1)-c1cc(OC)c(OC)c(OC)c1
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| InChI |
InChI=1S/C36H36N2O10S/c1-9-48-36(40)28-26(19-14-22(42-3)32(46-7)23(15-19)43-4)27-29(37)34(31(39)18-10-12-21(41-2)13-11-18)49-35(27)38-30(28)20-16-24(44-5)33(47-8)25(17-20)45-6/h10-17H,9,37H2,1-8H3
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| InChIKey |
GFJIQTQRZYCZMQ-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