General Information of the Compound
| Compound ID |
CP0158197
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| Compound Name |
1-tert-butyl-N-(3-fluoro-4-(2-(1-methyl-1H-imidazol-4-yl)thieno[3,2-b]pyridin-7-yloxy)phenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
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| Structure |
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| Formula |
C26H22F4N6O2S
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| Molecular Weight |
558.561
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| Canonical SMILES |
Cn1cnc(c1)-c1cc2nccc(Oc3ccc(NC(=O)c4cnn(c4C(F)(F)F)C(C)(C)C)cc3F)c2s1
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| InChI |
InChI=1S/C26H22F4N6O2S/c1-25(2,3)36-23(26(28,29)30)15(11-33-36)24(37)34-14-5-6-19(16(27)9-14)38-20-7-8-31-17-10-21(39-22(17)20)18-12-35(4)13-32-18/h5-13H,1-4H3,(H,34,37)
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| InChIKey |
CGLQYOUHMNTUAK-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