General Information of the Compound
| Compound ID |
CP0390891
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| Compound Name |
[2-(3-fluorophenyl)-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 |
C24H18F2N4O3S
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| Molecular Weight |
480.496
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| Canonical SMILES |
CS(=O)(=O)c1ccc(-c2cccc(F)c2)c(c1)C(=O)N1Cc2cn(nc2C1)-c1cncc(F)c1
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| InChI |
InChI=1S/C24H18F2N4O3S/c1-34(32,33)20-5-6-21(15-3-2-4-17(25)7-15)22(9-20)24(31)29-12-16-13-30(28-23(16)14-29)19-8-18(26)10-27-11-19/h2-11,13H,12,14H2,1H3
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| InChIKey |
DOQIAUOAJLSPND-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