General Information of the Compound
Compound ID |
CP0478736
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Compound Name |
(S)-isoindolin-2-yl(5-(methylsulfonyl)-2-(1,1,1-trifluoropropan-2-yloxy)phenyl)methanone
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Structure |
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Formula |
C19H18F3NO4S
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Molecular Weight |
413.417
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Canonical SMILES |
C[C@H](Oc1ccc(cc1C(=O)N1Cc2ccccc2C1)S(C)(=O)=O)C(F)(F)F
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InChI |
InChI=1S/C19H18F3NO4S/c1-12(19(20,21)22)27-17-8-7-15(28(2,25)26)9-16(17)18(24)23-10-13-5-3-4-6-14(13)11-23/h3-9,12H,10-11H2,1-2H3/t12-/m0/s1
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InChIKey |
DREROUCGWXWKPP-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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