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CHEBI:107262 - 1-[2-[(3-cyano-7-methyl-2-quinolinyl)amino]ethyl]-3-[3-(4-morpholinyl)propyl]thiourea

ChEBI IDCHEBI:107262
ChEBI Name1-[2-[(3-cyano-7-methyl-2-quinolinyl)amino]ethyl]-3-[3-(4-morpholinyl)propyl]thiourea
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FormulaC21H28N6OS
Net Charge0
Average Mass412.563
Monoisotopic Mass412.20453
SMILESCc1ccc2cc(C#N)c(NCCNC(=S)NCCCN3CCOCC3)nc2c1
InChIInChI=1S/C21H28N6OS/c1-16-3-4-17-14-18(15-22)20(26-19(17)13-16)23-6-7-25-21(29)24-5-2-8-27-9-11-28-12-10-27/h3-4,13-14H,2,5-12H2,1H3,(H,23,26)(H2,24,25,29)
InChIKeyBYPBUCYYZAEHDB-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-[2-[(3-cyano-7-methyl-2-quinolinyl)amino]ethyl]-3-[3-(4-morpholinyl)propyl]thiourea (CHEBI:107262) is a aminoquinoline (CHEBI:36709)
Manual XrefsDatabases
LSM-18616LINCS