General Information of the Compound
| Compound ID |
CP0870861
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| Compound Name |
(+/-)-1-phenyl-6-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 |
C23H24BrNO2
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| Molecular Weight |
426.354
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| Canonical SMILES |
Br.Cc1cccc(-c2c(O)c(O)cc3c2CCNCC3c2ccccc2)c1
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| InChI |
InChI=1S/C23H23NO2.BrH/c1-15-6-5-9-17(12-15)22-18-10-11-24-14-20(16-7-3-2-4-8-16)19(18)13-21(25)23(22)26;/h2-9,12-13,20,24-26H,10-11,14H2,1H3;1H
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| InChIKey |
ACVFFLLCEGYOOX-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