General Information of the Compound
| Compound ID |
CP0445708
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| Compound Name |
N-benzyl-6-[4-(2-phenylphenyl)piperazin-1-yl]hexanamide
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| Synonyms |
CHEMBL492871
N-Benzyl-4-(2-diphenyl)-1-piperazinehexanamide
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| Structure |
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| Formula |
C29H35N3O
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| Molecular Weight |
441.619
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| Canonical SMILES |
O=C(CCCCCN1CCN(CC1)c1ccccc1-c1ccccc1)NCc1ccccc1
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| InChI |
InChI=1S/C29H35N3O/c33-29(30-24-25-12-4-1-5-13-25)18-8-3-11-19-31-20-22-32(23-21-31)28-17-10-9-16-27(28)26-14-6-2-7-15-26/h1-2,4-7,9-10,12-17H,3,8,11,18-24H2,(H,30,33)
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| InChIKey |
LQFAQQWXFSOOQJ-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT01746, 5-hydroxytryptamine receptor 7
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Protein ID: PT01005, D(2) dopamine receptor
Clinical Information about the Compound