General Information of the Compound
Compound ID |
CP0904376
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Compound Name |
(+/-)-3-Methyl-6-(naphthalen-2-yl)-1-m-tolyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine-7,8-diol hydrobromide
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Structure |
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Formula |
C28H28BrNO2
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Molecular Weight |
490.441
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Canonical SMILES |
Br.Cc1cccc(C2CN(C)CCc3c2cc(O)c(O)c3-c2ccc3ccccc3c2)c1
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InChI |
InChI=1S/C28H27NO2.BrH/c1-18-6-5-9-21(14-18)25-17-29(2)13-12-23-24(25)16-26(30)28(31)27(23)22-11-10-19-7-3-4-8-20(19)15-22;/h3-11,14-16,25,30-31H,12-13,17H2,1-2H3;1H
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InChIKey |
LWWHHIDFSNZETQ-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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