General Information of the Compound
| Compound ID |
CP0538554
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| Compound Name |
6-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]-N-[(1S)-1-phenylethyl]hexanamide
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| Structure |
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| Formula |
C31H39N3O2
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| Molecular Weight |
485.672
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| Canonical SMILES |
COc1ccc(cc1)-c1ccccc1N1CCN(CCCCCC(=O)N[C@@H](C)c2ccccc2)CC1
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| InChI |
InChI=1S/C31H39N3O2/c1-25(26-11-5-3-6-12-26)32-31(35)15-7-4-10-20-33-21-23-34(24-22-33)30-14-9-8-13-29(30)27-16-18-28(36-2)19-17-27/h3,5-6,8-9,11-14,16-19,25H,4,7,10,15,20-24H2,1-2H3,(H,32,35)/t25-/m0/s1
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| InChIKey |
IKTDIESRRCFWHX-VWLOTQADSA-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