General Information of the Compound
| Compound ID |
CP0491784
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| Compound Name |
[4-[4-(3-fluoro-4-methylphenyl)-3,5-dimethylpyrazol-1-yl]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(c(C)c1-c1ccc(C)c(F)c1)-c1ccc(CN)cc1
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| InChI |
InChI=1S/C19H20FN3/c1-12-4-7-16(10-18(12)20)19-13(2)22-23(14(19)3)17-8-5-15(11-21)6-9-17/h4-10H,11,21H2,1-3H3
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| InChIKey |
GTQGWXWIKWPACK-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