General Information of the Compound
| Compound ID |
CP0122596
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| Compound Name |
[2-(4,4-difluoropiperidin-1-yl)-5-methylsulfonylphenyl]-[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 |
C23H22F3N5O3S
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| Molecular Weight |
505.522
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| Canonical SMILES |
CS(=O)(=O)c1ccc(N2CCC(F)(F)CC2)c(c1)C(=O)N1Cc2cn(nc2C1)-c1cncc(F)c1
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| InChI |
InChI=1S/C23H22F3N5O3S/c1-35(33,34)18-2-3-21(29-6-4-23(25,26)5-7-29)19(9-18)22(32)30-12-15-13-31(28-20(15)14-30)17-8-16(24)10-27-11-17/h2-3,8-11,13H,4-7,12,14H2,1H3
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| InChIKey |
GIRFLANIOVOTNP-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: 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