General Information of the Compound
| Compound ID |
CP0509167
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| Compound Name |
3-methyl-8-[(3-methylphenyl)methylamino]-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol
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| Structure |
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| Formula |
C25H28N2O
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| Molecular Weight |
372.512
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| Canonical SMILES |
CN1CCc2cc(NCc3cccc(C)c3)c(O)cc2C(C1)c1ccccc1
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| InChI |
InChI=1S/C25H28N2O/c1-18-7-6-8-19(13-18)16-26-24-14-21-11-12-27(2)17-23(22(21)15-25(24)28)20-9-4-3-5-10-20/h3-10,13-15,23,26,28H,11-12,16-17H2,1-2H3
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| InChIKey |
BJSBCWNGMVPHTE-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: PT01448, 5-hydroxytryptamine receptor 1A
Protein ID: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01195, D(1A) dopamine receptor
Protein ID: PT01005, D(2) dopamine receptor