General Information of the Compound
| Compound ID |
CP0446354
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| Compound Name |
1-[6-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-3-yl]sulfonyl-4-phenylpiperidine-4-carbonitrile
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| Structure |
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| Formula |
C25H23N5O4S2
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| Molecular Weight |
521.624
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| Canonical SMILES |
CS(=O)(=O)c1ccc(cc1)-c1ccc2ncc(n2n1)S(=O)(=O)N1CCC(CC1)(C#N)c1ccccc1
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| InChI |
InChI=1S/C25H23N5O4S2/c1-35(31,32)21-9-7-19(8-10-21)22-11-12-23-27-17-24(30(23)28-22)36(33,34)29-15-13-25(18-26,14-16-29)20-5-3-2-4-6-20/h2-12,17H,13-16H2,1H3
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| InChIKey |
GJRLLXMIZAAPLH-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