General Information of the Compound
| Compound ID |
CP0107006
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| Compound Name |
N-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
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| Structure |
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| Formula |
C28H18F4N6O2S
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| Molecular Weight |
578.551
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| Canonical SMILES |
Cn1ccnc1-c1cc2nccc(Oc3ccc(NC(=O)c4cnn(c4C(F)(F)F)-c4ccccc4)cc3F)c2s1
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| InChI |
InChI=1S/C28H18F4N6O2S/c1-37-12-11-34-26(37)23-14-20-24(41-23)22(9-10-33-20)40-21-8-7-16(13-19(21)29)36-27(39)18-15-35-38(25(18)28(30,31)32)17-5-3-2-4-6-17/h2-15H,1H3,(H,36,39)
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| InChIKey |
GUGPWGWLXMBBBT-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