1-{3-[AMINO(IMINO)METHYL]PHENYL}-N-[4-(1H-BENZIMIDAZOL-1-YL)-2-FLUOROPHENYL]-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-5-CARBOXAMIDE (CHEBI:39581)

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CHEBI:39581 - 1-{3-[AMINO(IMINO)METHYL]PHENYL}-N-[4-(1H-BENZIMIDAZOL-1-YL)-2-FLUOROPHENYL]-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-5-CARBOXAMIDE

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ChEBI ID	CHEBI:39581
ChEBI Name	1-{3-[AMINO(IMINO)METHYL]PHENYL}-N-[4-(1H-BENZIMIDAZOL-1-YL)-2-FLUOROPHENYL]-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-5-CARBOXAMIDE
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Last Modified	16 May 2008
Downloads	Molfile

Formula	C25H17F4N7O
Net Charge	0
Average Mass	507.451
Monoisotopic Mass	507.14307
SMILES	[H]/N=C(\c1c([H])c([H])c([H])c(-n2nc(C(F)(F)F)c([H])c2C(=O)N([H])c2c([H])c([H])c(-n3c([H])nc4c([H])c([H])c([H])c([H])c43)c([H])c2F)c1[H])N([H])[H]
InChI	InChI=1S/C25H17F4N7O/c26-17-11-15(35-13-32-19-6-1-2-7-20(19)35)8-9-18(17)33-24(37)21-12-22(25(27,28)29)34-36(21)16-5-3-4-14(10-16)23(30)31/h1-13H,(H3,30,31)(H,33,37)
InChIKey	TWBHVKYRNOGUJS-UHFFFAOYSA-N

ChEBI Ontology

Outgoing Relation(s)
	1-{3-[AMINO(IMINO)METHYL]PHENYL}-N-[4-(1H-BENZIMIDAZOL-1-YL)-2-FLUOROPHENYL]-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-5-CARBOXAMIDE (CHEBI:39581) is a unclassifieds (CHEBI:27189)

Synonyms	Source
1-{3-[AMINO(IMINO)METHYL]PHENYL}-N-[4-(1H-BENZIMIDAZOL-1-YL)-2-FLUOROPHENYL]-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-5-CARBOXAMIDE	PDBeChem
N-[4-(1H-benzimidazol-1-yl)-2-fluorophenyl]-1-(3-carbamimidoylphenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide	PDBeChem

Manual Xrefs	Databases
187	PDBeChem