General Information of the Compound
| Compound ID |
CP0536042
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| Compound Name |
N-[1-[2-(2,3-dichlorophenyl)sulfanylethyl]piperidin-4-yl]-2-methylbenzamide
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| Structure |
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| Formula |
C21H24Cl2N2OS
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| Molecular Weight |
423.409
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| Canonical SMILES |
Cc1ccccc1C(=O)NC1CCN(CCSc2cccc(Cl)c2Cl)CC1
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| InChI |
InChI=1S/C21H24Cl2N2OS/c1-15-5-2-3-6-17(15)21(26)24-16-9-11-25(12-10-16)13-14-27-19-8-4-7-18(22)20(19)23/h2-8,16H,9-14H2,1H3,(H,24,26)
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| InChIKey |
KAIXRNFYCJZENC-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