General Information of the Compound
| Compound ID |
CP0428622
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| Compound Name |
1-[[4-[4-(2-phenyl-1-piperidin-1-ylethyl)phenyl]phenyl]methyl]piperidine
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| Structure |
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| Formula |
C31H38N2
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| Molecular Weight |
438.659
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| Canonical SMILES |
C(C(N1CCCCC1)c1ccc(cc1)-c1ccc(CN2CCCCC2)cc1)c1ccccc1
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| InChI |
InChI=1S/C31H38N2/c1-4-10-26(11-5-1)24-31(33-22-8-3-9-23-33)30-18-16-29(17-19-30)28-14-12-27(13-15-28)25-32-20-6-2-7-21-32/h1,4-5,10-19,31H,2-3,6-9,20-25H2
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| InChIKey |
WOSHDTVAQQKWQH-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: PT01194, Histamine H3 receptor
Protein ID: PT01711, Histamine H4 receptor