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Summary Geometry Related PDB entries

NJL

Summary

Name:	(5~{Z})-5-[[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]methylidene]-2-[(~{E})-2-(4-hydroxyphenyl)ethenyl]-3-methyl-imidazol-4-one
Formula:	C19 H14 F2 N2 O3
Formal charge:	0
Formula weight:	356.323 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	(5~{Z})-5-[[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]methylidene]-2-[(~{E})-2-(4-hydroxyphenyl)ethenyl]-3-methyl-imidazol-4-one

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C19H14F2N2O3/c1-23-17(7-4-11-2-5-13(24)6-3-11)22-16(19(23)26)10-12-8-14(20)18(25)15(21)9-12/h2-10,24-25H,1H3/b7-4+,16-10-
InChIKey	InChI	1.06	VDZKKTGUASZPDB-RMASLCFXSA-N
SMILES_CANONICAL	CACTVS	3.385	CN1C(=O)/C(=C/c2cc(F)c(O)c(F)c2)N=C1/C=C/c3ccc(O)cc3
SMILES	CACTVS	3.385	CN1C(=O)C(=Cc2cc(F)c(O)c(F)c2)N=C1C=Cc3ccc(O)cc3
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CN1C(=N/C(=C\c2cc(c(c(c2)F)O)F)/C1=O)/C=C/c3ccc(cc3)O
SMILES	OpenEye OEToolkits	2.0.7	CN1C(=NC(=Cc2cc(c(c(c2)F)O)F)C1=O)C=Cc3ccc(cc3)O

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