General Information of the Compound
| Compound ID |
CP0491930
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| Compound Name |
[4-[[4-(4-fluorophenyl)-3,5-dimethylpyrazol-1-yl]methyl]phenyl]methanamine
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| Structure |
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| Formula |
C19H20FN3
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| Molecular Weight |
309.388
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| Canonical SMILES |
Cc1nn(Cc2ccc(CN)cc2)c(C)c1-c1ccc(F)cc1
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| InChI |
InChI=1S/C19H20FN3/c1-13-19(17-7-9-18(20)10-8-17)14(2)23(22-13)12-16-5-3-15(11-21)4-6-16/h3-10H,11-12,21H2,1-2H3
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| InChIKey |
WETKNYRTUMCFIZ-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: PT06880, Acid-sensing ion channel 1
Protein ID: PT06843, Acid-sensing ion channel 2