N-[5-({[2-fluoro-3-(trifluoromethyl)phenyl]amino}carbonyl)-2-methylphenyl]-4-methoxy-2-[(4-piperazin-1-ylphenyl)amino]pyrimidine-5-carboxamide (CHEBI:49461)

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CHEBI:49461 - N-[5-({[2-fluoro-3-(trifluoromethyl)phenyl]amino}carbonyl)-2-methylphenyl]-4-methoxy-2-[(4-piperazin-1-ylphenyl)amino]pyrimidine-5-carboxamide

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ChEBI ID	CHEBI:49461
ChEBI Name	N-[5-({[2-fluoro-3-(trifluoromethyl)phenyl]amino}carbonyl)-2-methylphenyl]-4-methoxy-2-[(4-piperazin-1-ylphenyl)amino]pyrimidine-5-carboxamide
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Downloads	Molfile

Formula	C31H29F4N7O3
Net Charge	0
Average Mass	623.611
Monoisotopic Mass	623.22680
SMILES	[H]c1nc(N([H])c2c([H])c([H])c(N3C([H])([H])C([H])([H])N([H])C([H])([H])C3([H])[H])c([H])c2[H])nc(OC([H])([H])[H])c1C(=O)N([H])c1c([H])c(C(=O)N([H])c2c([H])c([H])c([H])c(C(F)(F)F)c2F)c([H])c([H])c1C([H])([H])[H]
InChI	InChI=1S/C31H29F4N7O3/c1-18-6-7-19(27(43)39-24-5-3-4-23(26(24)32)31(33,34)35)16-25(18)40-28(44)22-17-37-30(41-29(22)45-2)38-20-8-10-21(11-9-20)42-14-12-36-13-15-42/h3-11,16-17,36H,12-15H2,1-2H3,(H,39,43)(H,40,44)(H,37,38,41)
InChIKey	RZSXAGWVTKQZAS-UHFFFAOYSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[5-({[2-fluoro-3-(trifluoromethyl)phenyl]amino}carbonyl)-2-methylphenyl]-4-methoxy-2-[(4-piperazin-1-ylphenyl)amino]pyrimidine-5-carboxamide (CHEBI:49461) is a unclassifieds (CHEBI:27189)

Synonyms	Source
N-[5-({[2-fluoro-3-(trifluoromethyl)phenyl]amino}carbonyl)-2-methylphenyl]-4-methoxy-2-[(4-piperazin-1-ylphenyl)amino]pyrimidine-5-carboxamide	PDBeChem
N-(5-{[2-fluoro-3-(trifluoromethyl)phenyl]carbamoyl}-2-methylphenyl)-4-methoxy-2-[(4-piperazin-1-ylphenyl)amino]pyrimidine-5-carboxamide	PDBeChem

Manual Xrefs	Databases
9NH	PDBeChem