General Information of the Compound
| Compound ID |
CP0436085
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| Compound Name |
[4-[4-(4-methoxyphenyl)-3,5-dimethylpyrazol-1-yl]phenyl]methanamine
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| Structure |
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| Formula |
C19H21N3O
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| Molecular Weight |
307.397
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| Canonical SMILES |
COc1ccc(cc1)-c1c(C)nn(c1C)-c1ccc(CN)cc1
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| InChI |
InChI=1S/C19H21N3O/c1-13-19(16-6-10-18(23-3)11-7-16)14(2)22(21-13)17-8-4-15(12-20)5-9-17/h4-11H,12,20H2,1-3H3
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| InChIKey |
ALGIVVJCDLGKII-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