General Information of the Compound
| Compound ID |
CP0579396
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| Compound Name |
1-(2,4-dichloro-5-methylphenyl)sulfonyl-4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidine
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| Structure |
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| Formula |
C17H21Cl2N3O2S2
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| Molecular Weight |
434.414
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| Canonical SMILES |
Cc1cc(c(Cl)cc1Cl)S(=O)(=O)N1CCC(CSc2nccn2C)CC1
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| InChI |
InChI=1S/C17H21Cl2N3O2S2/c1-12-9-16(15(19)10-14(12)18)26(23,24)22-6-3-13(4-7-22)11-25-17-20-5-8-21(17)2/h5,8-10,13H,3-4,6-7,11H2,1-2H3
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| InChIKey |
PZUVRBTVXFTOCJ-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