General Information of the Compound
| Compound ID |
CP0195509
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| Compound Name |
N-[4-[2-[4-(dimethylcarbamoyl)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 |
C33H23F4N5O3S
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| Molecular Weight |
645.638
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| Canonical SMILES |
CN(C)C(=O)c1ccc(cc1)-c1cc2nccc(Oc3ccc(NC(=O)c4cnn(c4C(F)(F)F)-c4ccccc4)cc3F)c2s1
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| InChI |
InChI=1S/C33H23F4N5O3S/c1-41(2)32(44)20-10-8-19(9-11-20)28-17-25-29(46-28)27(14-15-38-25)45-26-13-12-21(16-24(26)34)40-31(43)23-18-39-42(30(23)33(35,36)37)22-6-4-3-5-7-22/h3-18H,1-2H3,(H,40,43)
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| InChIKey |
WLWPMTAGPLBRJQ-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