General Information of the Compound
| Compound ID |
CP0873320
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| Compound Name |
7-methyl-2,3-dihydroxy-5,6,7,8,9,14-hexahydrodibenzo[d,g]azecine hydrobromide
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| Structure |
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| Formula |
C18H22BrNO2
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| Molecular Weight |
364.283
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| Canonical SMILES |
Br.CN1CCc2ccccc2Cc2cc(O)c(O)cc2CC1
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| InChI |
InChI=1S/C18H21NO2.BrH/c1-19-8-6-13-4-2-3-5-14(13)10-16-12-18(21)17(20)11-15(16)7-9-19;/h2-5,11-12,20-21H,6-10H2,1H3;1H
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| InChIKey |
HOFHGEGAPFFFFE-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: PT01169, D(1B) dopamine receptor
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor