General Information of the Compound
| Compound ID |
CP0478731
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| Compound Name |
(4'-fluoro-4-(methylsulfonyl)biphenyl-2-yl)(5-(tetrahydro-2H-pyran-4-yl)isoindolin-2-yl)methanone
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| Structure |
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| Formula |
C27H26FNO4S
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| Molecular Weight |
479.573
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| Canonical SMILES |
CS(=O)(=O)c1ccc(-c2ccc(F)cc2)c(c1)C(=O)N1Cc2ccc(cc2C1)C1CCOCC1
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| InChI |
InChI=1S/C27H26FNO4S/c1-34(31,32)24-8-9-25(19-4-6-23(28)7-5-19)26(15-24)27(30)29-16-21-3-2-20(14-22(21)17-29)18-10-12-33-13-11-18/h2-9,14-15,18H,10-13,16-17H2,1H3
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| InChIKey |
QMVMTEKLTFRTEL-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