General Information of the Compound
| Compound ID |
CP0040627
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| Compound Name |
6-[4-(2-acetamidophenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide
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| Structure |
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| Formula |
C28H38N4O2
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| Molecular Weight |
462.638
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| Canonical SMILES |
CC(=O)Nc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
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| InChI |
InChI=1S/C28H38N4O2/c1-22(33)29-26-13-6-7-15-27(26)32-20-18-31(19-21-32)17-8-2-3-16-28(34)30-25-14-9-11-23-10-4-5-12-24(23)25/h4-7,10,12-13,15,25H,2-3,8-9,11,14,16-21H2,1H3,(H,29,33)(H,30,34)
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| InChIKey |
DFLMNRNLACOXKM-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