General Information of the Compound
| Compound ID |
CP0199188
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| Compound Name |
[5-ethylsulfonyl-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-[2-(5-fluoropyridin-3-yl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]methanone
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| Structure |
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| Formula |
C22H20F4N4O4S
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| Molecular Weight |
512.485
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| Canonical SMILES |
CCS(=O)(=O)c1ccc(O[C@@H](C)C(F)(F)F)c(c1)C(=O)N1Cc2cn(nc2C1)-c1cncc(F)c1
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| InChI |
InChI=1S/C22H20F4N4O4S/c1-3-35(32,33)17-4-5-20(34-13(2)22(24,25)26)18(7-17)21(31)29-10-14-11-30(28-19(14)12-29)16-6-15(23)8-27-9-16/h4-9,11,13H,3,10,12H2,1-2H3/t13-/m0/s1
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| InChIKey |
AFSFDOMLBGCXCS-ZDUSSCGKSA-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: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT02185, Sodium- and chloride-dependent glycine transporter 1
Protein ID: PT01521, Sodium- and chloride-dependent glycine transporter 2