General Information of the Compound
| Compound ID |
CP0870860
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| Compound Name |
(+/-)-1,6-Diphenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine-7,8-diol hydrobromide
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| Structure |
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| Formula |
C22H22BrNO2
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| Molecular Weight |
412.327
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| Canonical SMILES |
Br.Oc1cc2c(c(-c3ccccc3)c1O)CCNCC2c1ccccc1
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| InChI |
InChI=1S/C22H21NO2.BrH/c24-20-13-18-17(21(22(20)25)16-9-5-2-6-10-16)11-12-23-14-19(18)15-7-3-1-4-8-15;/h1-10,13,19,23-25H,11-12,14H2;1H
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| InChIKey |
CSPWXKBYLGOTAS-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