General Information of the Compound
| Compound ID |
CP0224660
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| Compound Name |
2-chloro-N-[1-[4,4-difluoro-1-[4-(1-methyltriazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]ethyl]-4-(trifluoromethyl)benzamide;hydrochloride
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| Structure |
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| Formula |
C23H29Cl2F5N6O3S
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| Molecular Weight |
635.487
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| Canonical SMILES |
Cl.CC(NC(=O)c1ccc(cc1Cl)C(F)(F)F)C1(CCC(F)(F)CC1)N1CCN(CC1)S(=O)(=O)c1cn(C)nn1
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| InChI |
InChI=1S/C23H28ClF5N6O3S.ClH/c1-15(30-20(36)17-4-3-16(13-18(17)24)23(27,28)29)21(5-7-22(25,26)8-6-21)34-9-11-35(12-10-34)39(37,38)19-14-33(2)32-31-19;/h3-4,13-15H,5-12H2,1-2H3,(H,30,36);1H
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| InChIKey |
QPQXXOWUWIINLL-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: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT01521, Sodium- and chloride-dependent glycine transporter 2