General Information of the Compound
| Compound ID |
CP0546988
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| Compound Name |
3-(4-benzylpiperazin-1-yl)sulfonyl-6-pyridin-3-ylimidazo[1,2-b]pyridazine
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| Structure |
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| Formula |
C22H22N6O2S
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| Molecular Weight |
434.525
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| Canonical SMILES |
O=S(=O)(N1CCN(Cc2ccccc2)CC1)c1cnc2ccc(nn12)-c1cccnc1
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| InChI |
InChI=1S/C22H22N6O2S/c29-31(30,27-13-11-26(12-14-27)17-18-5-2-1-3-6-18)22-16-24-21-9-8-20(25-28(21)22)19-7-4-10-23-15-19/h1-10,15-16H,11-14,17H2
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| InChIKey |
QQPWRJOEAWKEMM-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