General Information of the Compound
| Compound ID |
CP0152495
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| Compound Name |
1-(3-fluoro-4-(4-(5-(methylsulfonyl)-2-morpholinobenzoyl)piperazin-1-yl)phenyl)ethanone
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| Structure |
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| Formula |
C24H28FN3O5S
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| Molecular Weight |
489.569
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| Canonical SMILES |
CC(=O)c1ccc(N2CCN(CC2)C(=O)c2cc(ccc2N2CCOCC2)S(C)(=O)=O)c(F)c1
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| InChI |
InChI=1S/C24H28FN3O5S/c1-17(29)18-3-5-23(21(25)15-18)26-7-9-28(10-8-26)24(30)20-16-19(34(2,31)32)4-6-22(20)27-11-13-33-14-12-27/h3-6,15-16H,7-14H2,1-2H3
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| InChIKey |
TUPJMQWUSDJIDL-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