General Information of the Compound
| Compound ID |
CP0875703
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| Compound Name |
(+/-)-6-(naphthalen-2-yl)-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine-7,8-diol hydrobromide
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| Structure |
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| Formula |
C26H24BrNO2
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| Molecular Weight |
462.387
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| Canonical SMILES |
Br.Oc1cc2c(c(-c3ccc4ccccc4c3)c1O)CCNCC2c1ccccc1
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| InChI |
InChI=1S/C26H23NO2.BrH/c28-24-15-22-21(12-13-27-16-23(22)18-7-2-1-3-8-18)25(26(24)29)20-11-10-17-6-4-5-9-19(17)14-20;/h1-11,14-15,23,27-29H,12-13,16H2;1H
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| InChIKey |
HPGVTZSRTOLFTD-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: PT01195, D(1A) dopamine receptor