General Information of the Compound
| Compound ID |
CP0497005
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| Compound Name |
(5-(methylsulfonyl)-2-(3,3,3-trifluoropropoxy)phenyl)(5-(tetrahydro-2H-pyran-4-yl)isoindolin-2-yl)methanone
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| Structure |
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| Formula |
C24H26F3NO5S
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| Molecular Weight |
497.535
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| Canonical SMILES |
CS(=O)(=O)c1ccc(OCCC(F)(F)F)c(c1)C(=O)N1Cc2ccc(cc2C1)C1CCOCC1
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| InChI |
InChI=1S/C24H26F3NO5S/c1-34(30,31)20-4-5-22(33-11-8-24(25,26)27)21(13-20)23(29)28-14-18-3-2-17(12-19(18)15-28)16-6-9-32-10-7-16/h2-5,12-13,16H,6-11,14-15H2,1H3
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| InChIKey |
OKLLQEQVBOXGNV-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