General Information of the Compound
| Compound ID |
CP0559674
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| Compound Name |
2-chloro-N-[[4,4-difluoro-1-[4-(1-methyltriazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]methyl]-4-(trifluoromethyl)benzamide;hydrochloride
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| Structure |
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| Formula |
C22H27Cl2F5N6O3S
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| Molecular Weight |
621.46
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| Canonical SMILES |
Cl.Cn1cc(nn1)S(=O)(=O)N1CCN(CC1)C1(CNC(=O)c2ccc(cc2Cl)C(F)(F)F)CCC(F)(F)CC1
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| InChI |
InChI=1S/C22H26ClF5N6O3S.ClH/c1-32-13-18(30-31-32)38(36,37)34-10-8-33(9-11-34)20(4-6-21(24,25)7-5-20)14-29-19(35)16-3-2-15(12-17(16)23)22(26,27)28;/h2-3,12-13H,4-11,14H2,1H3,(H,29,35);1H
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| InChIKey |
UBNSABFEIYHZNC-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