General Information of the Compound
| Compound ID |
CP0523507
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| Compound Name |
N-[(3-methoxyphenyl)methyl]-6-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazine-3-sulfonamide
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| Structure |
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| Formula |
C21H20N4O5S2
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| Molecular Weight |
472.548
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| Canonical SMILES |
COc1cccc(CNS(=O)(=O)c2cnc3ccc(nn23)-c2ccc(cc2)S(C)(=O)=O)c1
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| InChI |
InChI=1S/C21H20N4O5S2/c1-30-17-5-3-4-15(12-17)13-23-32(28,29)21-14-22-20-11-10-19(24-25(20)21)16-6-8-18(9-7-16)31(2,26)27/h3-12,14,23H,13H2,1-2H3
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| InChIKey |
ISQFLQDNTREWPD-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