General Information of the Compound
| Compound ID |
CP0382124
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| Compound Name |
3-[5-methyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]-1,2,4-triazol-3-yl]pyridine
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| Structure |
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| Formula |
C22H27N5O
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| Molecular Weight |
377.492
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| Canonical SMILES |
Cc1nnc(-c2cccnc2)n1-c1ccc(OCCCN2CCCCC2)cc1
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| InChI |
InChI=1S/C22H27N5O/c1-18-24-25-22(19-7-5-12-23-17-19)27(18)20-8-10-21(11-9-20)28-16-6-15-26-13-3-2-4-14-26/h5,7-12,17H,2-4,6,13-16H2,1H3
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| InChIKey |
PWBFJEIJPADHLX-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: PT01206, Histamine H1 receptor
Protein ID: PT01194, Histamine H3 receptor