General Information of the Compound
| Compound ID |
CP0686403
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| Compound Name |
N-(3-fluoro-4-(2-(1-methyl-1H-imidazol-4-yl)thieno[3,2-b]pyridin-7-yloxy)phenyl)-N-methyl-1-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
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| Structure |
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| Formula |
C29H20F4N6O2S
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| Molecular Weight |
592.578
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| Canonical SMILES |
CN(C(=O)c1cnn(-c2ccccc2)c1C(F)(F)F)c1ccc(Oc2ccnc3cc(-c4cn(C)cn4)sc23)c(F)c1
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| InChI |
InChI=1S/C29H20F4N6O2S/c1-37-15-22(35-16-37)25-13-21-26(42-25)24(10-11-34-21)41-23-9-8-18(12-20(23)30)38(2)28(40)19-14-36-39(27(19)29(31,32)33)17-6-4-3-5-7-17/h3-16H,1-2H3
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| InChIKey |
IUTCFJHADZKYIN-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