General Information of the Compound
| Compound ID |
CP0516578
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| Compound Name |
N-[2-fluoro-5-[5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1H-pyridazin-3-yl]phenyl]-1-benzothiophene-2-carboxamide
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| Structure |
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| Formula |
C26H22FN7O2S
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| Molecular Weight |
515.574
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| Canonical SMILES |
CN1CCn2nc(Nc3cc(n[nH]c3=O)-c3ccc(F)c(NC(=O)c4cc5ccccc5s4)c3)cc2C1
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| InChI |
InChI=1S/C26H22FN7O2S/c1-33-8-9-34-17(14-33)12-24(32-34)28-21-13-19(30-31-25(21)35)15-6-7-18(27)20(10-15)29-26(36)23-11-16-4-2-3-5-22(16)37-23/h2-7,10-13H,8-9,14H2,1H3,(H,29,36)(H,31,35)(H,28,30,32)
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| InChIKey |
JVLVRAOLALOEGX-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