General Information of the Compound
| Compound ID |
CP0576562
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| Compound Name |
1-[3-[4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidin-1-yl]sulfonylphenyl]ethanone
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| Structure |
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| Formula |
C18H23N3O3S2
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| Molecular Weight |
393.534
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| Canonical SMILES |
CC(=O)c1cccc(c1)S(=O)(=O)N1CCC(CSc2nccn2C)CC1
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| InChI |
InChI=1S/C18H23N3O3S2/c1-14(22)16-4-3-5-17(12-16)26(23,24)21-9-6-15(7-10-21)13-25-18-19-8-11-20(18)2/h3-5,8,11-12,15H,6-7,9-10,13H2,1-2H3
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| InChIKey |
MWWDHCVTYNNBTR-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