General Information of the Compound
| Compound ID |
CP0439524
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| Compound Name |
(S)-(5-(methylsulfonyl)-2-(1,1,1-trifluoropropan-2-yloxy)phenyl)(5-(pyrrolidin-1-yl)isoindolin-2-yl)methanone
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| Structure |
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| Formula |
C23H25F3N2O4S
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| Molecular Weight |
482.524
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| Canonical SMILES |
C[C@H](Oc1ccc(cc1C(=O)N1Cc2ccc(cc2C1)N1CCCC1)S(C)(=O)=O)C(F)(F)F
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| InChI |
InChI=1S/C23H25F3N2O4S/c1-15(23(24,25)26)32-21-8-7-19(33(2,30)31)12-20(21)22(29)28-13-16-5-6-18(11-17(16)14-28)27-9-3-4-10-27/h5-8,11-12,15H,3-4,9-10,13-14H2,1-2H3/t15-/m0/s1
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| InChIKey |
GTRGRYKYZLBMTL-HNNXBMFYSA-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