General Information of the Compound
| Compound ID |
CP0302139
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| Compound Name |
N-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-5-methyl-1-phenylpyrazole-4-carboxamide
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| Structure |
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| Formula |
C28H21FN6O2S
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| Molecular Weight |
524.581
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| Canonical SMILES |
Cc1c(cnn1-c1ccccc1)C(=O)Nc1ccc(Oc2ccnc3cc(sc23)-c2cn(C)cn2)c(F)c1
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| InChI |
InChI=1S/C28H21FN6O2S/c1-17-20(14-32-35(17)19-6-4-3-5-7-19)28(36)33-18-8-9-24(21(29)12-18)37-25-10-11-30-22-13-26(38-27(22)25)23-15-34(2)16-31-23/h3-16H,1-2H3,(H,33,36)
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| InChIKey |
LKHSVIZPSAOZJI-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