General Information of the Compound
| Compound ID |
CP0120376
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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-diphenylpyrazole-4-carboxamide
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| Structure |
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| Formula |
C33H23FN6O2S
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| Molecular Weight |
586.652
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| Canonical SMILES |
Cn1cnc(c1)-c1cc2nccc(Oc3ccc(NC(=O)c4cnn(c4-c4ccccc4)-c4ccccc4)cc3F)c2s1
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| InChI |
InChI=1S/C33H23FN6O2S/c1-39-19-27(36-20-39)30-17-26-32(43-30)29(14-15-35-26)42-28-13-12-22(16-25(28)34)38-33(41)24-18-37-40(23-10-6-3-7-11-23)31(24)21-8-4-2-5-9-21/h2-20H,1H3,(H,38,41)
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| InChIKey |
LVVUVXCYFVJIIX-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