General Information of the Compound
| Compound ID |
CP0253736
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| Compound Name |
3-(3-fluoro-4-{[2-(methylsulfanyl)thieno[3,2-b]pyridin-7-yl]oxy}phenyl)-1-(2-phenylacetyl)thiourea
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| Structure |
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| Formula |
C23H18FN3O2S3
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| Molecular Weight |
483.615
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| Canonical SMILES |
CSc1cc2nccc(Oc3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3F)c2s1
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| InChI |
InChI=1S/C23H18FN3O2S3/c1-31-21-13-17-22(32-21)19(9-10-25-17)29-18-8-7-15(12-16(18)24)26-23(30)27-20(28)11-14-5-3-2-4-6-14/h2-10,12-13H,11H2,1H3,(H2,26,27,28,30)
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| InChIKey |
DYBYBSJVJPDSSC-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