General Information of the Compound
| Compound ID |
CP0470727
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| Compound Name |
4-[4-(4-fluorophenyl)-3,5-dimethylpyrazol-1-yl]benzonitrile
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| Structure |
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| Formula |
C18H14FN3
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| Molecular Weight |
291.329
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| Canonical SMILES |
Cc1nn(c(C)c1-c1ccc(F)cc1)-c1ccc(cc1)C#N
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| InChI |
InChI=1S/C18H14FN3/c1-12-18(15-5-7-16(19)8-6-15)13(2)22(21-12)17-9-3-14(11-20)4-10-17/h3-10H,1-2H3
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| InChIKey |
DHXMHJZTKWGKCL-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