CHEBI:92731 - 2-[[4-(5-chloro-2-methoxyanilino)-6-(1-piperidinyl)-1,3,5-triazin-2-yl]amino]ethanol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-[[4-(5-chloro-2-methoxyanilino)-6-(1-piperidinyl)-1,3,5-triazin-2-yl]amino]ethanol
ChEBI ID CHEBI:92731
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C17H23ClN6O2
Net Charge 0
Average Mass 378.857
Monoisotopic Mass 378.15710
InChI InChI=1S/C17H23ClN6O2/c1-26-14-6-5-12(18)11-13(14)20-16-21-15(19-7-10-25)22-17(23-16)24-8-3-2-4-9-24/h5-6,11,25H,2-4,7-10H2,1H3,(H2,19,20,21,22,23)
InChIKey ZMPSLQHVIXWVTO-UHFFFAOYSA-N
SMILES COC1=C(C=C(C=C1)Cl)NC2=NC(=NC(=N2)N3CCCCC3)NCCO
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 2-[[4-(5-chloro-2-methoxyanilino)-6-(1-piperidinyl)-1,3,5-triazin-2-yl]amino]ethanol (CHEBI:92731) is a methoxybenzenes (CHEBI:51683)
2-[[4-(5-chloro-2-methoxyanilino)-6-(1-piperidinyl)-1,3,5-triazin-2-yl]amino]ethanol (CHEBI:92731) is a substituted aniline (CHEBI:48975)
Manual Xref Database
LSM-2920 LINCS
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