General Information of the Compound
| Compound ID |
CP0253735
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| Compound Name |
N-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-phenyl-2-sulfanylideneimidazolidine-1-carboxamide
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| Structure |
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| Formula |
C27H21FN6O2S2
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| Molecular Weight |
544.637
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| Canonical SMILES |
Cn1cnc(c1)-c1cc2nccc(Oc3ccc(NC(=O)N4CCN(C4=S)c4ccccc4)cc3F)c2s1
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| InChI |
InChI=1S/C27H21FN6O2S2/c1-32-15-21(30-16-32)24-14-20-25(38-24)23(9-10-29-20)36-22-8-7-17(13-19(22)28)31-26(35)34-12-11-33(27(34)37)18-5-3-2-4-6-18/h2-10,13-16H,11-12H2,1H3,(H,31,35)
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| InChIKey |
UBDQNKLDLKXAGY-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
Protein ID: PT01201, Hepatocyte growth factor receptor
Protein ID: PT00864, Vascular endothelial growth factor receptor 2