General Information of the Compound
| Compound ID |
CP0412912
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| Compound Name |
(S)-(5-methoxyisoindolin-2-yl)(5-(methylsulfonyl)-2-(1,1,1-trifluoropropan-2-yloxy)phenyl)methanone
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| Structure |
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| Formula |
C20H20F3NO5S
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| Molecular Weight |
443.443
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| Canonical SMILES |
COc1ccc2CN(Cc2c1)C(=O)c1cc(ccc1O[C@@H](C)C(F)(F)F)S(C)(=O)=O
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| InChI |
InChI=1S/C20H20F3NO5S/c1-12(20(21,22)23)29-18-7-6-16(30(3,26)27)9-17(18)19(25)24-10-13-4-5-15(28-2)8-14(13)11-24/h4-9,12H,10-11H2,1-3H3/t12-/m0/s1
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| InChIKey |
JTOKNMGNPHJFLY-LBPRGKRZSA-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