General Information of the Compound
| Compound ID |
CP0530888
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| Compound Name |
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-6-[4-(2-phenylphenyl)piperazin-1-yl]hexanamide
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| Structure |
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| Formula |
C32H42N4O
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| Molecular Weight |
498.715
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| Canonical SMILES |
CN(C)Cc1ccc(CNC(=O)CCCCCN2CCN(CC2)c2ccccc2-c2ccccc2)cc1
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| InChI |
InChI=1S/C32H42N4O/c1-34(2)26-28-18-16-27(17-19-28)25-33-32(37)15-7-4-10-20-35-21-23-36(24-22-35)31-14-9-8-13-30(31)29-11-5-3-6-12-29/h3,5-6,8-9,11-14,16-19H,4,7,10,15,20-26H2,1-2H3,(H,33,37)
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| InChIKey |
UUWNDYITXWRHHK-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: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Protein ID: PT01005, D(2) dopamine receptor