General Information of the Compound
| Compound ID |
CP0148785
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| Compound Name |
[2-(4,4-difluoropiperidin-1-yl)-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 |
C24H25F2N5O3S
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| Molecular Weight |
501.559
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| Canonical SMILES |
Cc1cc(ccn1)-n1cc2CN(Cc2n1)C(=O)c1cc(ccc1N1CCC(F)(F)CC1)S(C)(=O)=O
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| InChI |
InChI=1S/C24H25F2N5O3S/c1-16-11-18(5-8-27-16)31-14-17-13-30(15-21(17)28-31)23(32)20-12-19(35(2,33)34)3-4-22(20)29-9-6-24(25,26)7-10-29/h3-5,8,11-12,14H,6-7,9-10,13,15H2,1-2H3
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| InChIKey |
UVGRMAGENRJKRM-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