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Summary Geometry Related PDB entries

U26

Summary

Name:	(3P)-1-[(4-fluorophenyl)methyl]-3-(isoquinolin-4-yl)imidazolidine-2,4-dione
Formula:	C19 H14 F N3 O2
Formal charge:	0
Formula weight:	335.332 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(3P)-1-[(4-fluorophenyl)methyl]-3-(isoquinolin-4-yl)imidazolidine-2,4-dione
OpenEye OEToolkits	2.0.7	1-[(4-fluorophenyl)methyl]-3-isoquinolin-4-yl-imidazolidine-2,4-dione

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Fc1ccc(CN2CC(=O)N(C2=O)c2cncc3ccccc32)cc1
InChI	InChI	1.06	InChI=1S/C19H14FN3O2/c20-15-7-5-13(6-8-15)11-22-12-18(24)23(19(22)25)17-10-21-9-14-3-1-2-4-16(14)17/h1-10H,11-12H2
InChIKey	InChI	1.06	ZKUHTBIQDMFRSK-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Fc1ccc(CN2CC(=O)N(C2=O)c3cncc4ccccc34)cc1
SMILES	CACTVS	3.385	Fc1ccc(CN2CC(=O)N(C2=O)c3cncc4ccccc34)cc1
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1ccc2c(c1)cncc2N3C(=O)CN(C3=O)Cc4ccc(cc4)F
SMILES	OpenEye OEToolkits	2.0.7	c1ccc2c(c1)cncc2N3C(=O)CN(C3=O)Cc4ccc(cc4)F

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