1-(3-AMINO-1,2-BENZISOXAZOL-5-YL)-N-(4-{2-[(DIMETHYLAMINO)METHYL]-1H-IMIDAZOL-1-YL}-2-FLUOROPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-5-CARBOXAMIDE (CHEBI:43286)

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CHEBI:43286 - 1-(3-AMINO-1,2-BENZISOXAZOL-5-YL)-N-(4-{2-[(DIMETHYLAMINO)METHYL]-1H-IMIDAZOL-1-YL}-2-FLUOROPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-5-CARBOXAMIDE

Default Structure

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ChEBI ID	CHEBI:43286
ChEBI Name	1-(3-AMINO-1,2-BENZISOXAZOL-5-YL)-N-(4-{2-[(DIMETHYLAMINO)METHYL]-1H-IMIDAZOL-1-YL}-2-FLUOROPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-5-CARBOXAMIDE
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Last Modified	17 October 2009
Downloads	Molfile

Formula	C24H20F4N8O2
Net Charge	0
Average Mass	528.470
Monoisotopic Mass	528.16453
SMILES	[H]c1nc(C([H])([H])N(C([H])([H])[H])C([H])([H])[H])n(-c2c([H])c([H])c(N([H])C(=O)c3c([H])c(C(F)(F)F)nn3-c3c([H])c([H])c4onc(N([H])[H])c4c3[H])c(F)c2[H])c1[H]
InChI	InChI=1S/C24H20F4N8O2/c1-34(2)12-21-30-7-8-35(21)13-3-5-17(16(25)10-13)31-23(37)18-11-20(24(26,27)28)32-36(18)14-4-6-19-15(9-14)22(29)33-38-19/h3-11H,12H2,1-2H3,(H2,29,33)(H,31,37)
InChIKey	OFJRNBWSFXEHSA-UHFFFAOYSA-N

ChEBI Ontology

Outgoing Relation(s)
	1-(3-AMINO-1,2-BENZISOXAZOL-5-YL)-N-(4-{2-[(DIMETHYLAMINO)METHYL]-1H-IMIDAZOL-1-YL}-2-FLUOROPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-5-CARBOXAMIDE (CHEBI:43286) is a unclassifieds (CHEBI:27189)

Synonyms	Source
1-(3-amino-1,2-benzisoxazol-5-yl)-N-(4-{2-[(dimethylamino)methyl]-1H-imidazol-1-yl}-2-fluorophenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide	PDBeChem
1-(3-AMINO-1,2-BENZISOXAZOL-5-YL)-N-(4-{2-[(DIMETHYLAMINO)METHYL]-1H-IMIDAZOL-1-YL}-2-FLUOROPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-5-CARBOXAMIDE	PDBeChem

Manual Xrefs	Databases
IK8	PDBeChem