General Information of the Compound
| Compound ID |
CP0425935
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| Compound Name |
3-Fluoro-4-[4-(2-hydroxy-5-methanesulfonyl-benzoyl)-piperazin-1-yl]-benzonitrile
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| Structure |
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| Formula |
C19H18FN3O4S
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| Molecular Weight |
403.435
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| Canonical SMILES |
CS(=O)(=O)c1ccc(O)c(c1)C(=O)N1CCN(CC1)c1ccc(cc1F)C#N
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| InChI |
InChI=1S/C19H18FN3O4S/c1-28(26,27)14-3-5-18(24)15(11-14)19(25)23-8-6-22(7-9-23)17-4-2-13(12-21)10-16(17)20/h2-5,10-11,24H,6-9H2,1H3
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| InChIKey |
DJYKNDVZMRDPFV-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