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CHEBI:93444 - 1-[3-[(5-bromo-2-pyridinyl)-[(4-chlorophenyl)methyl]amino]propyl]-3-[3-(1H-imidazol-5-yl)propyl]thiourea

ChEBI IDCHEBI:93444
ChEBI Name1-[3-[(5-bromo-2-pyridinyl)-[(4-chlorophenyl)methyl]amino]propyl]-3-[3-(1H-imidazol-5-yl)propyl]thiourea
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FormulaC22H26BrClN6S
Net Charge0
Average Mass521.916
Monoisotopic Mass520.08116
SMILESS=C(NCCCc1cncn1)NCCCN(Cc1ccc(Cl)cc1)c1ccc(Br)cn1
InChIInChI=1S/C22H26BrClN6S/c23-18-6-9-21(28-13-18)30(15-17-4-7-19(24)8-5-17)12-2-11-27-22(31)26-10-1-3-20-14-25-16-29-20/h4-9,13-14,16H,1-3,10-12,15H2,(H,25,29)(H2,26,27,31)
InChIKeyAVTBQIDXNQGEAD-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
1-[3-[(5-bromo-2-pyridinyl)-[(4-chlorophenyl)methyl]amino]propyl]-3-[3-(1H-imidazol-5-yl)propyl]thiourea (CHEBI:93444) is a aminopyridine (CHEBI:38207)
Manual XrefsDatabases
LSM-3849LINCS