General Information of the Compound
| Compound ID |
CP0431830
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| Compound Name |
N-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-phenyl-5-thiophen-3-ylpyrazole-4-carboxamide
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| Structure |
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| Formula |
C31H21FN6O2S2
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| Molecular Weight |
592.681
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| Canonical SMILES |
Cn1cnc(c1)-c1cc2nccc(Oc3ccc(NC(=O)c4cnn(c4-c4ccsc4)-c4ccccc4)cc3F)c2s1
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| InChI |
InChI=1S/C31H21FN6O2S2/c1-37-16-25(34-18-37)28-14-24-30(42-28)27(9-11-33-24)40-26-8-7-20(13-23(26)32)36-31(39)22-15-35-38(21-5-3-2-4-6-21)29(22)19-10-12-41-17-19/h2-18H,1H3,(H,36,39)
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| InChIKey |
OQUIMQFXKJQTLD-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