General Information of the Compound
| Compound ID |
CP0482931
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| Compound Name |
2,4-dichloro-N-[[1-(4-cyclobutylsulfonylpiperazin-1-yl)cyclohexyl]methyl]benzamide;hydrochloride
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| Structure |
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| Formula |
C22H32Cl3N3O3S
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| Molecular Weight |
524.942
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| Canonical SMILES |
Cl.Clc1ccc(C(=O)NCC2(CCCCC2)N2CCN(CC2)S(=O)(=O)C2CCC2)c(Cl)c1
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| InChI |
InChI=1S/C22H31Cl2N3O3S.ClH/c23-17-7-8-19(20(24)15-17)21(28)25-16-22(9-2-1-3-10-22)26-11-13-27(14-12-26)31(29,30)18-5-4-6-18;/h7-8,15,18H,1-6,9-14,16H2,(H,25,28);1H
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| InChIKey |
ASTGVWIOZPGGKB-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