General Information of the Compound
| Compound ID |
CP0379523
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| Compound Name |
(5-(methylsulfonyl)-2-(3,3,3-trifluoropropoxy)phenyl)(3-(trifluoromethyl)-5H-pyrrolo[3,4-b]pyridin-6(7H)-yl)methanone
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| Structure |
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| Formula |
C19H16F6N2O4S
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| Molecular Weight |
482.402
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| Canonical SMILES |
CS(=O)(=O)c1ccc(OCCC(F)(F)F)c(c1)C(=O)N1Cc2cc(cnc2C1)C(F)(F)F
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| InChI |
InChI=1S/C19H16F6N2O4S/c1-32(29,30)13-2-3-16(31-5-4-18(20,21)22)14(7-13)17(28)27-9-11-6-12(19(23,24)25)8-26-15(11)10-27/h2-3,6-8H,4-5,9-10H2,1H3
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| InChIKey |
CBFIHQCACGMSHE-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