General Information of the Compound
| Compound ID |
CP0333597
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| Compound Name |
6-[4-(2-tert-butylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide
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| Structure |
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| Formula |
C30H43N3O
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| Molecular Weight |
461.694
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| Canonical SMILES |
CC(C)(C)c1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
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| InChI |
InChI=1S/C30H43N3O/c1-30(2,3)26-15-8-9-17-28(26)33-22-20-32(21-23-33)19-10-4-5-18-29(34)31-27-16-11-13-24-12-6-7-14-25(24)27/h6-9,12,14-15,17,27H,4-5,10-11,13,16,18-23H2,1-3H3,(H,31,34)
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| InChIKey |
BLCHSWWAUDRFLL-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