General Information of the Compound
| Compound ID |
CP0523505
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| Compound Name |
1-[6-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]sulfonyl-4-phenylpiperidine-4-carbonitrile
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| Structure |
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| Formula |
C26H25N5O4S
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| Molecular Weight |
503.584
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| Canonical SMILES |
COc1ccc(cc1OC)-c1ccc2ncc(n2n1)S(=O)(=O)N1CCC(CC1)(C#N)c1ccccc1
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| InChI |
InChI=1S/C26H25N5O4S/c1-34-22-10-8-19(16-23(22)35-2)21-9-11-24-28-17-25(31(24)29-21)36(32,33)30-14-12-26(18-27,13-15-30)20-6-4-3-5-7-20/h3-11,16-17H,12-15H2,1-2H3
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| InChIKey |
JTIUFXNVJLHXRA-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