General Information of the Compound
| Compound ID |
CP0431828
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| Compound Name |
N-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-phenyl-5-pyridin-2-ylpyrazole-4-carboxamide
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| Structure |
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| Formula |
C32H22FN7O2S
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| Molecular Weight |
587.64
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| Canonical SMILES |
Cn1cnc(c1)-c1cc2nccc(Oc3ccc(NC(=O)c4cnn(c4-c4ccccn4)-c4ccccc4)cc3F)c2s1
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| InChI |
InChI=1S/C32H22FN7O2S/c1-39-18-26(36-19-39)29-16-25-31(43-29)28(12-14-35-25)42-27-11-10-20(15-23(27)33)38-32(41)22-17-37-40(21-7-3-2-4-8-21)30(22)24-9-5-6-13-34-24/h2-19H,1H3,(H,38,41)
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| InChIKey |
WUPSOUMWBFYXSC-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