General Information of the Compound
| Compound ID |
CP0404865
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| Compound Name |
8-Bromo-7-isopropoxy-1-methyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine
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| Structure |
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| Formula |
C14H20BrNO
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| Molecular Weight |
298.224
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| Canonical SMILES |
CC(C)Oc1cc2CCNCC(C)c2cc1Br
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| InChI |
InChI=1S/C14H20BrNO/c1-9(2)17-14-6-11-4-5-16-8-10(3)12(11)7-13(14)15/h6-7,9-10,16H,4-5,8H2,1-3H3
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| InChIKey |
OKANWZMGTYYNOW-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