General Information of the Compound
| Compound ID |
CP0158811
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| Compound Name |
3-(3-fluoro-4-{[2-(1-methyl-1H-1,2,4-triazol-5-yl)thieno[3,2-b]pyridin-7-yl]oxy}phenyl)-1-(2-phenylacetyl)thiourea
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| Structure |
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| Formula |
C25H19FN6O2S2
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| Molecular Weight |
518.599
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| Canonical SMILES |
Cn1ncnc1-c1cc2nccc(Oc3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3F)c2s1
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| InChI |
InChI=1S/C25H19FN6O2S2/c1-32-24(28-14-29-32)21-13-18-23(36-21)20(9-10-27-18)34-19-8-7-16(12-17(19)26)30-25(35)31-22(33)11-15-5-3-2-4-6-15/h2-10,12-14H,11H2,1H3,(H2,30,31,33,35)
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| InChIKey |
RRMOGJHBHWYMHX-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