General Information of the Compound
| Compound ID |
CP0331772
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| Compound Name |
methyl 7-(2-fluoro-4-{[(1-phenylacetamido)methanethioyl]amino}phenoxy)thieno[3,2-b]pyridine-2-carboxylate
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| Structure |
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| Formula |
C24H18FN3O4S2
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| Molecular Weight |
495.557
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| Canonical SMILES |
COC(=O)c1cc2nccc(Oc3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3F)c2s1
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| InChI |
InChI=1S/C24H18FN3O4S2/c1-31-23(30)20-13-17-22(34-20)19(9-10-26-17)32-18-8-7-15(12-16(18)25)27-24(33)28-21(29)11-14-5-3-2-4-6-14/h2-10,12-13H,11H2,1H3,(H2,27,28,29,33)
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| InChIKey |
HWTXIWLPSDZEKV-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