General Information of the Compound
| Compound ID |
CP0466686
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| Compound Name |
N-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1,5-diphenylpyrrole-3-carboxamide
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| Structure |
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| Formula |
C34H24FN5O2S
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| Molecular Weight |
585.664
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| Canonical SMILES |
Cn1cnc(c1)-c1cc2nccc(Oc3ccc(NC(=O)c4cc(-c5ccccc5)n(c4)-c4ccccc4)cc3F)c2s1
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| InChI |
InChI=1S/C34H24FN5O2S/c1-39-20-28(37-21-39)32-18-27-33(43-32)31(14-15-36-27)42-30-13-12-24(17-26(30)35)38-34(41)23-16-29(22-8-4-2-5-9-22)40(19-23)25-10-6-3-7-11-25/h2-21H,1H3,(H,38,41)
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| InChIKey |
KNIRVRLUQOCHFV-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