General Information of the Compound
| Compound ID |
CP0529531
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| Compound Name |
7-(hydroxymethyl)-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-8-ol
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| Structure |
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| Formula |
C18H21NO2
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| Molecular Weight |
283.371
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| Canonical SMILES |
CN1CCc2cc(O)c(CO)cc2C(C1)c1ccccc1
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| InChI |
InChI=1S/C18H21NO2/c1-19-8-7-14-10-18(21)15(12-20)9-16(14)17(11-19)13-5-3-2-4-6-13/h2-6,9-10,17,20-21H,7-8,11-12H2,1H3
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| InChIKey |
JZGXUWOYCFNOGI-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: PT01195, D(1A) dopamine receptor
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor