General Information of the Compound
| Compound ID |
CP0452642
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| Compound Name |
2-[6-[4-(2-(1-Methylethyl)phenyl)-1-piperazinyl]-1-oxohexyl]-1,2,3,4-tetrahydroisoquinoline
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| Structure |
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| Formula |
C28H39N3O
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| Molecular Weight |
433.64
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| Canonical SMILES |
CC(C)c1ccccc1N1CCN(CCCCCC(=O)N2CCc3ccccc3C2)CC1
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| InChI |
InChI=1S/C28H39N3O/c1-23(2)26-12-7-8-13-27(26)30-20-18-29(19-21-30)16-9-3-4-14-28(32)31-17-15-24-10-5-6-11-25(24)22-31/h5-8,10-13,23H,3-4,9,14-22H2,1-2H3
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| InChIKey |
QDZRLBZZELBOIJ-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
Protein ID: PT01005, D(2) dopamine receptor