General Information of the Compound
| Compound ID |
CP0410524
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| Compound Name |
8-(diethylamino)-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol
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| Structure |
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| Formula |
C21H28N2O
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| Molecular Weight |
324.468
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| Canonical SMILES |
CCN(CC)c1cc2CCN(C)CC(c3ccccc3)c2cc1O
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| InChI |
InChI=1S/C21H28N2O/c1-4-23(5-2)20-13-17-11-12-22(3)15-19(18(17)14-21(20)24)16-9-7-6-8-10-16/h6-10,13-14,19,24H,4-5,11-12,15H2,1-3H3
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| InChIKey |
FJFGTZQHFSUNCX-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