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Summary Geometry Related PDB entries

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Summary

Name:	1-(2-AMINO-4-PHENYLIMIDAZOL-1-YL)-3-(2-FLUOROPHENYL)UREA
Formula:	C16 H14 F N5 O
Formal charge:	0
Formula weight:	311.314 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	1-(2-amino-4-phenyl-1H-imidazol-1-yl)-3-(2-fluorophenyl)urea
OpenEye OEToolkits	1.9.2	1-(2-azanyl-4-phenyl-imidazol-1-yl)-3-(2-fluorophenyl)urea

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(Nn1cc(nc1N)c2ccccc2)Nc3ccccc3F
InChI	InChI	1.03	InChI=1S/C16H14FN5O/c17-12-8-4-5-9-13(12)20-16(23)21-22-10-14(19-15(22)18)11-6-2-1-3-7-11/h1-10H,(H2,18,19)(H2,20,21,23)
InChIKey	InChI	1.03	FMZIYXRGFBYERG-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Nc1nc(cn1NC(=O)Nc2ccccc2F)c3ccccc3
SMILES	CACTVS	3.385	Nc1nc(cn1NC(=O)Nc2ccccc2F)c3ccccc3
SMILES_CANONICAL	OpenEye OEToolkits	1.9.2	c1ccc(cc1)c2cn(c(n2)N)NC(=O)Nc3ccccc3F
SMILES	OpenEye OEToolkits	1.9.2	c1ccc(cc1)c2cn(c(n2)N)NC(=O)Nc3ccccc3F

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