General Information of the Compound
| Compound ID |
CP0431829
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| Compound Name |
N-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-5-(4-fluorophenyl)-1-phenylpyrazole-4-carboxamide
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| Structure |
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| Formula |
C33H22F2N6O2S
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| Molecular Weight |
604.642
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| Canonical SMILES |
Cn1cnc(c1)-c1cc2nccc(Oc3ccc(NC(=O)c4cnn(c4-c4ccc(F)cc4)-c4ccccc4)cc3F)c2s1
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| InChI |
InChI=1S/C33H22F2N6O2S/c1-40-18-27(37-19-40)30-16-26-32(44-30)29(13-14-36-26)43-28-12-11-22(15-25(28)35)39-33(42)24-17-38-41(23-5-3-2-4-6-23)31(24)20-7-9-21(34)10-8-20/h2-19H,1H3,(H,39,42)
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| InChIKey |
GJNFPKYJZXRLHF-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