General Information of the Compound
| Compound ID |
CP0376752
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| Compound Name |
N-[(1R)-1-phenylethyl]-6-[4-(2-phenylphenyl)piperazin-1-yl]hexanamide
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| Structure |
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| Formula |
C30H37N3O
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| Molecular Weight |
455.646
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| Canonical SMILES |
C[C@@H](NC(=O)CCCCCN1CCN(CC1)c1ccccc1-c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C30H37N3O/c1-25(26-13-5-2-6-14-26)31-30(34)19-9-4-12-20-32-21-23-33(24-22-32)29-18-11-10-17-28(29)27-15-7-3-8-16-27/h2-3,5-8,10-11,13-18,25H,4,9,12,19-24H2,1H3,(H,31,34)/t25-/m1/s1
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| InChIKey |
GFSSZVCGIUBLNI-RUZDIDTESA-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