General Information of the Compound
| Compound ID |
CP0107008
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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-(2-methoxyethyl)nicotinamide
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| Structure |
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| Formula |
C33H24F4N6O4S
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| Molecular Weight |
676.652
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| Canonical SMILES |
COCCNC(=O)c1ccc(nc1)-c1cc2nccc(Oc3ccc(NC(=O)c4cnn(c4C(F)(F)F)-c4ccccc4)cc3F)c2s1
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| InChI |
InChI=1S/C33H24F4N6O4S/c1-46-14-13-39-31(44)19-7-9-24(40-17-19)28-16-25-29(48-28)27(11-12-38-25)47-26-10-8-20(15-23(26)34)42-32(45)22-18-41-43(30(22)33(35,36)37)21-5-3-2-4-6-21/h2-12,15-18H,13-14H2,1H3,(H,39,44)(H,42,45)
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| InChIKey |
ZWQGPGURLYBTGX-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