General Information of the Compound
| Compound ID |
CP0517970
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| Compound Name |
N-[2-(dimethylamino)-1-phenylethyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
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| Structure |
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| Formula |
C21H23FN4O
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| Molecular Weight |
366.44
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| Canonical SMILES |
CN(C)CC(NC(=O)c1cnn(c1C)-c1ccc(F)cc1)c1ccccc1
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| InChI |
InChI=1S/C21H23FN4O/c1-15-19(13-23-26(15)18-11-9-17(22)10-12-18)21(27)24-20(14-25(2)3)16-7-5-4-6-8-16/h4-13,20H,14H2,1-3H3,(H,24,27)
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| InChIKey |
CUPIIQDCZZWMQY-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: PT03632, Sigma intracellular receptor 2
Protein ID: PT01509, Sigma non-opioid intracellular receptor 1