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Summary Geometry Related PDB entries

Z81

Summary

Name:	(5S)-2-amino-5-(2',5'-difluorobiphenyl-3-yl)-3-methyl-5-pyridin-4-yl-3,5-dihydro-4H-imidazol-4-one
Synonyms:	4-[3-OXO-3-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-YL)-PROPENYL]-BENZOIC ACID
Formula:	C21 H16 F2 N4 O
Formal charge:	0
Formula weight:	378.375 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	1.6.1	(5S)-2-azanyl-5-[3-(2,5-difluorophenyl)phenyl]-3-methyl-5-pyridin-4-yl-imidazol-4-one

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES_CANONICAL	CACTVS	3.352	CN1C(=N[C@](C1=O)(c2ccncc2)c3cccc(c3)c4cc(F)ccc4F)N
SMILES	CACTVS	3.352	CN1C(=N[C](C1=O)(c2ccncc2)c3cccc(c3)c4cc(F)ccc4F)N
SMILES_CANONICAL	OpenEye OEToolkits	1.7.0	CN1C(=O)[C@@](N=C1N)(c2ccncc2)c3cccc(c3)c4cc(ccc4F)F
SMILES	OpenEye OEToolkits	1.7.0	CN1C(=O)C(N=C1N)(c2ccncc2)c3cccc(c3)c4cc(ccc4F)F
InChI	InChI	1.03	InChI=1S/C21H16F2N4O/c1-27-19(28)21(26-20(27)24,14-7-9-25-10-8-14)15-4-2-3-13(11-15)17-12-16(22)5-6-18(17)23/h2-12H,1H3,(H2,24,26)/t21-/m1/s1
InChIKey	InChI	1.03	RKYFABJLGJZOBA-OAQYLSRUSA-N

221051

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