General Information of the Compound
| Compound ID |
CP0110048
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| Compound Name |
N-[6-fluoro-2-methyl-3-[5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1H-pyridazin-3-yl]phenyl]thieno[2,3-b]pyridine-2-carboxamide
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| Structure |
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| Formula |
C26H23FN8O2S
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| Molecular Weight |
530.589
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| Canonical SMILES |
CN1CCn2nc(Nc3cc(n[nH]c3=O)-c3ccc(F)c(NC(=O)c4cc5cccnc5s4)c3C)cc2C1
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| InChI |
InChI=1S/C26H23FN8O2S/c1-14-17(5-6-18(27)23(14)30-25(37)21-10-15-4-3-7-28-26(15)38-21)19-12-20(24(36)32-31-19)29-22-11-16-13-34(2)8-9-35(16)33-22/h3-7,10-12H,8-9,13H2,1-2H3,(H,30,37)(H,32,36)(H,29,31,33)
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| InChIKey |
VAGVVMNSGHHXHT-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