General Information of the Compound
| Compound ID |
CP0394848
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| Compound Name |
8-Bromo-1-ethyl-7-methoxy-2,3,4,5-tetrahydro-1H-benzo[d]azepine
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| Structure |
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| Formula |
C13H18BrNO
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| Molecular Weight |
284.197
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| Canonical SMILES |
CCC1CNCCc2cc(OC)c(Br)cc12
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| InChI |
InChI=1S/C13H18BrNO/c1-3-9-8-15-5-4-10-6-13(16-2)12(14)7-11(9)10/h6-7,9,15H,3-5,8H2,1-2H3
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| InChIKey |
QSLHEIFNJPYBLS-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01019, 5-hydroxytryptamine receptor 2B
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C