General Information of the Compound
| Compound ID |
CP0442834
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| Compound Name |
1-[3-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)phenoxy]propyl]piperidine
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| Structure |
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| Formula |
C18H26N4O
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| Molecular Weight |
314.433
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| Canonical SMILES |
Cc1nnc(C)n1-c1ccc(OCCCN2CCCCC2)cc1
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| InChI |
InChI=1S/C18H26N4O/c1-15-19-20-16(2)22(15)17-7-9-18(10-8-17)23-14-6-13-21-11-4-3-5-12-21/h7-10H,3-6,11-14H2,1-2H3
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| InChIKey |
BAAHTFHSCKWFDS-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
Protein ID: PT01711, Histamine H4 receptor