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Summary Geometry Related PDB entries

UJV

Summary

Name:	[5-(4-fluoro-2H-isoindole-2-carbonyl)-2-hydroxyphenyl](5-methoxy-2H-isoindol-2-yl)methanone
Formula:	C25 H17 F N2 O4
Formal charge:	0
Formula weight:	428.412 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	[5-(4-fluoro-2H-isoindole-2-carbonyl)-2-hydroxyphenyl](5-methoxy-2H-isoindol-2-yl)methanone
OpenEye OEToolkits	2.0.7	(4-fluoranylisoindol-2-yl)-[3-(5-methoxyisoindol-2-yl)carbonyl-4-oxidanyl-phenyl]methanone

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1c5c(cn1C(c4ccc(O)c(C(=O)n2cc3c(c2)cc(cc3)OC)c4)=O)c(F)ccc5
InChI	InChI	1.03	InChI=1S/C25H17FN2O4/c1-32-19-7-5-16-11-27(13-18(16)9-19)25(31)20-10-15(6-8-23(20)29)24(30)28-12-17-3-2-4-22(26)21(17)14-28/h2-14,29H,1H3
InChIKey	InChI	1.03	CNJHIRFLYFXCOH-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	COc1ccc2cn(cc2c1)C(=O)c3cc(ccc3O)C(=O)n4cc5cccc(F)c5c4
SMILES	CACTVS	3.385	COc1ccc2cn(cc2c1)C(=O)c3cc(ccc3O)C(=O)n4cc5cccc(F)c5c4
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	COc1ccc2cn(cc2c1)C(=O)c3cc(ccc3O)C(=O)n4cc5cccc(c5c4)F
SMILES	OpenEye OEToolkits	2.0.7	COc1ccc2cn(cc2c1)C(=O)c3cc(ccc3O)C(=O)n4cc5cccc(c5c4)F

222415

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