General Information of the Compound
| Compound ID |
CP0540651
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| Compound Name |
2-chloro-N-[[1-(4-ethylsulfonylpiperazin-1-yl)-4,4-difluorocyclohexyl]methyl]-4-(trifluoromethyl)benzamide;hydrochloride
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| Structure |
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| Formula |
C21H28Cl2F5N3O3S
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| Molecular Weight |
568.436
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| Canonical SMILES |
Cl.CCS(=O)(=O)N1CCN(CC1)C1(CNC(=O)c2ccc(cc2Cl)C(F)(F)F)CCC(F)(F)CC1
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| InChI |
InChI=1S/C21H27ClF5N3O3S.ClH/c1-2-34(32,33)30-11-9-29(10-12-30)19(5-7-20(23,24)8-6-19)14-28-18(31)16-4-3-15(13-17(16)22)21(25,26)27;/h3-4,13H,2,5-12,14H2,1H3,(H,28,31);1H
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| InChIKey |
DFFQNRFTEGTDEY-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