General Information of the Compound
| Compound ID |
CP0451236
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| Compound Name |
2-amino-6-chloro-N-[[1-(4-methylsulfonylpiperazin-1-yl)cyclohexyl]methyl]benzamide;hydrochloride
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| Structure |
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| Formula |
C19H30Cl2N4O3S
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| Molecular Weight |
465.447
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| Canonical SMILES |
Cl.CS(=O)(=O)N1CCN(CC1)C1(CNC(=O)c2c(N)cccc2Cl)CCCCC1
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| InChI |
InChI=1S/C19H29ClN4O3S.ClH/c1-28(26,27)24-12-10-23(11-13-24)19(8-3-2-4-9-19)14-22-18(25)17-15(20)6-5-7-16(17)21;/h5-7H,2-4,8-14,21H2,1H3,(H,22,25);1H
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| InChIKey |
XMTKEGDGQPITTE-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