General Information of the Compound
| Compound ID |
CP0195510
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| Compound Name |
6-(7-(2-fluoro-4-(1-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamido)phenoxy)thieno[3,2-b]pyridin-2-yl)-N,N-dimethylnicotinamide
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| Structure |
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| Formula |
C32H22F4N6O3S
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| Molecular Weight |
646.626
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| Canonical SMILES |
CN(C)C(=O)c1ccc(nc1)-c1cc2nccc(Oc3ccc(NC(=O)c4cnn(c4C(F)(F)F)-c4ccccc4)cc3F)c2s1
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| InChI |
InChI=1S/C32H22F4N6O3S/c1-41(2)31(44)18-8-10-23(38-16-18)27-15-24-28(46-27)26(12-13-37-24)45-25-11-9-19(14-22(25)33)40-30(43)21-17-39-42(29(21)32(34,35)36)20-6-4-3-5-7-20/h3-17H,1-2H3,(H,40,43)
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| InChIKey |
UKRFXUSHZYFIGR-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