General Information of the Compound
| Compound ID |
CP0464156
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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-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
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| Structure |
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| Formula |
C34H25FN6O3S
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| Molecular Weight |
616.678
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| Canonical SMILES |
COc1ccc(cc1)-c1c(cnn1-c1ccccc1)C(=O)Nc1ccc(Oc2ccnc3cc(sc23)-c2cn(C)cn2)c(F)c1
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| InChI |
InChI=1S/C34H25FN6O3S/c1-40-19-28(37-20-40)31-17-27-33(45-31)30(14-15-36-27)44-29-13-10-22(16-26(29)35)39-34(42)25-18-38-41(23-6-4-3-5-7-23)32(25)21-8-11-24(43-2)12-9-21/h3-20H,1-2H3,(H,39,42)
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| InChIKey |
ZDXDHMLGICQFIF-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