General Information of the Compound
| Compound ID |
CP0419804
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| Compound Name |
N-[[1-(4-fluorophenyl)-5-(2-methylpropyl)pyrazol-3-yl]methyl]quinoline-8-sulfonamide
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| Structure |
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| Formula |
C23H23FN4O2S
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| Molecular Weight |
438.528
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| Canonical SMILES |
CC(C)Cc1cc(CNS(=O)(=O)c2cccc3cccnc23)nn1-c1ccc(F)cc1
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| InChI |
InChI=1S/C23H23FN4O2S/c1-16(2)13-21-14-19(27-28(21)20-10-8-18(24)9-11-20)15-26-31(29,30)22-7-3-5-17-6-4-12-25-23(17)22/h3-12,14,16,26H,13,15H2,1-2H3
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| InChIKey |
AEOJHOWLRNVRDE-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: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2