General Information of the Compound
| Compound ID |
CP0501876
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| Compound Name |
(2-isopropoxy-5-(methylsulfonyl)phenyl)(3-(trifluoromethyl)-5H-pyrrolo[3,4-b]pyridin-6(7H)-yl)methanone
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| Structure |
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| Formula |
C19H19F3N2O4S
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| Molecular Weight |
428.432
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| Canonical SMILES |
CC(C)Oc1ccc(cc1C(=O)N1Cc2cc(cnc2C1)C(F)(F)F)S(C)(=O)=O
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| InChI |
InChI=1S/C19H19F3N2O4S/c1-11(2)28-17-5-4-14(29(3,26)27)7-15(17)18(25)24-9-12-6-13(19(20,21)22)8-23-16(12)10-24/h4-8,11H,9-10H2,1-3H3
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| InChIKey |
FMDCETZXKXBSAU-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