General Information of the Compound
| Compound ID |
CP0519799
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| Compound Name |
4-phenyl-1-(6-pyridin-3-ylimidazo[1,2-b]pyridazin-3-yl)sulfonylpiperidine-4-carbonitrile
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| Structure |
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| Formula |
C23H20N6O2S
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| Molecular Weight |
444.52
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| Canonical SMILES |
O=S(=O)(N1CCC(CC1)(C#N)c1ccccc1)c1cnc2ccc(nn12)-c1cccnc1
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| InChI |
InChI=1S/C23H20N6O2S/c24-17-23(19-6-2-1-3-7-19)10-13-28(14-11-23)32(30,31)22-16-26-21-9-8-20(27-29(21)22)18-5-4-12-25-15-18/h1-9,12,15-16H,10-11,13-14H2
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| InChIKey |
ZSMCFJJTQVXZRO-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