General Information of the Compound
| Compound ID |
CP0946407
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| Compound Name |
2,4-Dichloro-N-((1-(4-(propylsulfonyl)piperazin-1-yl)cyclohexyl)-methyl)benzamide Hydrochloride
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| Structure |
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| Formula |
C21H32Cl3N3O3S
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| Molecular Weight |
512.931
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| Canonical SMILES |
CCCS(=O)(=O)N1CCN(C2(CNC(=O)c3ccc(Cl)cc3Cl)CCCCC2)CC1.Cl
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| InChI |
InChI=1S/C21H31Cl2N3O3S.ClH/c1-2-14-30(28,29)26-12-10-25(11-13-26)21(8-4-3-5-9-21)16-24-20(27)18-7-6-17(22)15-19(18)23;/h6-7,15H,2-5,8-14,16H2,1H3,(H,24,27);1H
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| InChIKey |
UWEAUTASXBKOMC-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
Protein ID: PT02185, Sodium- and chloride-dependent glycine transporter 1
Protein ID: PT01521, Sodium- and chloride-dependent glycine transporter 2