General Information of the Compound
| Compound ID |
CP0450416
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| Compound Name |
2-chloro-N-[[1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]-3-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C22H31ClF3N3O3S
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| Molecular Weight |
510.022
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| Canonical SMILES |
CCCS(=O)(=O)N1CCN(CC1)C1(CNC(=O)c2cccc(c2Cl)C(F)(F)F)CCCCC1
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| InChI |
InChI=1S/C22H31ClF3N3O3S/c1-2-15-33(31,32)29-13-11-28(12-14-29)21(9-4-3-5-10-21)16-27-20(30)17-7-6-8-18(19(17)23)22(24,25)26/h6-8H,2-5,9-16H2,1H3,(H,27,30)
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| InChIKey |
VRJAZCJBWPXQIN-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