General Information of the Compound
| Compound ID |
CP0545831
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| Compound Name |
[2-(3-fluorophenyl)-5-methylsulfonylphenyl]-[2-(2-methylpyridin-4-yl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]methanone
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| Structure |
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| Formula |
C25H21FN4O3S
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| Molecular Weight |
476.533
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| Canonical SMILES |
Cc1cc(ccn1)-n1cc2CN(Cc2n1)C(=O)c1cc(ccc1-c1cccc(F)c1)S(C)(=O)=O
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| InChI |
InChI=1S/C25H21FN4O3S/c1-16-10-20(8-9-27-16)30-14-18-13-29(15-24(18)28-30)25(31)23-12-21(34(2,32)33)6-7-22(23)17-4-3-5-19(26)11-17/h3-12,14H,13,15H2,1-2H3
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| InChIKey |
IYIBGNHADBXKGT-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