General Information of the Compound
| Compound ID |
CP0376704
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| Compound Name |
2-(3-Bromophenyl)histamine
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| Synonyms |
2-(3-Bromophenyl)-1H-imidazole-4-(ethanamine)
2-(3-Bromophenyl)histamine
2-(3-bromophenyl)histamine
2-[2-(3-bromophenyl)-3H-imidazol-4-yl]ethanamine
AKOS022562838
AKOS023977997
BDBM22863
CHEMBL26116
GTPL1194
PDSP1_001308
PDSP2_001292
SCHEMBL15974857
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| Structure |
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| Formula |
C11H12BrN3
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| Molecular Weight |
266.142
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| Canonical SMILES |
NCCc1cnc([nH]1)-c1cccc(Br)c1
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| InChI |
InChI=1S/C11H12BrN3/c12-9-3-1-2-8(6-9)11-14-7-10(15-11)4-5-13/h1-3,6-7H,4-5,13H2,(H,14,15)
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| InChIKey |
VSKJPAMQPJDPLL-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: PT01206, Histamine H1 receptor
Protein ID: PT01711, Histamine H4 receptor
Clinical Information about the Compound