General Information of the Compound
| Compound ID |
CP0296585
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| Compound Name |
7-(2-fluoro-4-{[(1-phenylacetamido)methanethioyl]amino}phenoxy)-N,N-dimethylthieno[3,2-b]pyridine-2-carboxamide
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| Structure |
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| Formula |
C25H21FN4O3S2
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| Molecular Weight |
508.6
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| Canonical SMILES |
CN(C)C(=O)c1cc2nccc(Oc3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3F)c2s1
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| InChI |
InChI=1S/C25H21FN4O3S2/c1-30(2)24(32)21-14-18-23(35-21)20(10-11-27-18)33-19-9-8-16(13-17(19)26)28-25(34)29-22(31)12-15-6-4-3-5-7-15/h3-11,13-14H,12H2,1-2H3,(H2,28,29,31,34)
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| InChIKey |
FVIIFUOCWXBFMO-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