General Information of the Compound
| Compound ID |
CP0095244
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| Compound Name |
N-[4-[2-[4-[2-(dimethylamino)ethyl-methylcarbamoyl]phenyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
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| Structure |
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| Formula |
C36H30F4N6O3S
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| Molecular Weight |
702.734
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| Canonical SMILES |
CN(C)CCN(C)C(=O)c1ccc(cc1)-c1cc2nccc(Oc3ccc(NC(=O)c4cnn(c4C(F)(F)F)-c4ccccc4)cc3F)c2s1
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| InChI |
InChI=1S/C36H30F4N6O3S/c1-44(2)17-18-45(3)35(48)23-11-9-22(10-12-23)31-20-28-32(50-31)30(15-16-41-28)49-29-14-13-24(19-27(29)37)43-34(47)26-21-42-46(33(26)36(38,39)40)25-7-5-4-6-8-25/h4-16,19-21H,17-18H2,1-3H3,(H,43,47)
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| InChIKey |
JWQRJKUZDUQDNX-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