General Information of the Compound
| Compound ID |
CP0195515
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| Compound Name |
5-amino-N-(3-fluoro-4-(2-(1-methyl-1H-imidazol-4-yl)thieno[3,2-b]pyridin-7-yloxy)phenyl)-1-phenyl-1H-pyrazole-4-carboxamide
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| Structure |
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| Formula |
C27H20FN7O2S
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| Molecular Weight |
525.569
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| Canonical SMILES |
Cn1cnc(c1)-c1cc2nccc(Oc3ccc(NC(=O)c4cnn(c4N)-c4ccccc4)cc3F)c2s1
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| InChI |
InChI=1S/C27H20FN7O2S/c1-34-14-21(31-15-34)24-12-20-25(38-24)23(9-10-30-20)37-22-8-7-16(11-19(22)28)33-27(36)18-13-32-35(26(18)29)17-5-3-2-4-6-17/h2-15H,29H2,1H3,(H,33,36)
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| InChIKey |
JVNNQMKXIIVSCG-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