General Information of the Compound
| Compound ID |
CP0482787
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| Compound Name |
2-amino-N-[[1-[4-(benzenesulfonyl)piperazin-1-yl]cyclohexyl]methyl]-6-chlorobenzamide;hydrochloride
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| Structure |
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| Formula |
C24H32Cl2N4O3S
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| Molecular Weight |
527.518
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| Canonical SMILES |
Cl.Nc1cccc(Cl)c1C(=O)NCC1(CCCCC1)N1CCN(CC1)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C24H31ClN4O3S.ClH/c25-20-10-7-11-21(26)22(20)23(30)27-18-24(12-5-2-6-13-24)28-14-16-29(17-15-28)33(31,32)19-8-3-1-4-9-19;/h1,3-4,7-11H,2,5-6,12-18,26H2,(H,27,30);1H
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| InChIKey |
USDSOCZAPOHGRS-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