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Summary Geometry Related PDB entries

3YY

Summary

Name:	(5R)-5-[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]imidazolidine-2,4-dione
Formula:	C18 H13 F N4 O2
Formal charge:	0
Formula weight:	336.32 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(5R)-5-[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]imidazolidine-2,4-dione
OpenEye OEToolkits	1.7.0	(5R)-5-[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]imidazolidine-2,4-dione

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C4NC(=O)NC4c1cn(nc1c2ccc(F)cc2)c3ccccc3
SMILES_CANONICAL	CACTVS	3.370	Fc1ccc(cc1)c2nn(cc2[C@H]3NC(=O)NC3=O)c4ccccc4
SMILES	CACTVS	3.370	Fc1ccc(cc1)c2nn(cc2[CH]3NC(=O)NC3=O)c4ccccc4
SMILES_CANONICAL	OpenEye OEToolkits	1.7.0	c1ccc(cc1)n2cc(c(n2)c3ccc(cc3)F)[C@@H]4C(=O)NC(=O)N4
SMILES	OpenEye OEToolkits	1.7.0	c1ccc(cc1)n2cc(c(n2)c3ccc(cc3)F)C4C(=O)NC(=O)N4
InChI	InChI	1.03	InChI=1S/C18H13FN4O2/c19-12-8-6-11(7-9-12)15-14(16-17(24)21-18(25)20-16)10-23(22-15)13-4-2-1-3-5-13/h1-10,16H,(H2,20,21,24,25)/t16-/m1/s1
InChIKey	InChI	1.03	MPQWYPLPWGUMJE-MRXNPFEDSA-N

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건을2024-07-24부터공개중

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