General Information of the Compound
| Compound ID |
CP0482786
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| Compound Name |
N-[[4,4-difluoro-1-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]methyl]-2,6-difluorobenzamide;hydrochloride
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| Structure |
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| Formula |
C22H28ClF4N5O3S
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| Molecular Weight |
554.01
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| Canonical SMILES |
Cl.Cn1cnc(c1)S(=O)(=O)N1CCN(CC1)C1(CNC(=O)c2c(F)cccc2F)CCC(F)(F)CC1
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| InChI |
InChI=1S/C22H27F4N5O3S.ClH/c1-29-13-18(28-15-29)35(33,34)31-11-9-30(10-12-31)21(5-7-22(25,26)8-6-21)14-27-20(32)19-16(23)3-2-4-17(19)24;/h2-4,13,15H,5-12,14H2,1H3,(H,27,32);1H
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| InChIKey |
RJYHESVUZLXDQT-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