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Summary Geometry Related PDB entries

8CU

Summary

Name:	N-[3-[5-bromanyl-2,4-bis(oxidanyl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]ethanamide
Formula:	C18 H15 Br N2 O5
Formal charge:	0
Formula weight:	419.226 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.6	~{N}-[3-[5-bromanyl-2,4-bis(oxidanyl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]ethanamide

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.03	InChI=1S/C18H15BrN2O5/c1-9(22)20-18-16(10-3-5-11(25-2)6-4-10)17(21-26-18)12-7-13(19)15(24)8-14(12)23/h3-8,23-24H,1-2H3,(H,20,22)
InChIKey	InChI	1.03	LPNPUVWHHAMBGR-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	COc1ccc(cc1)c2c(NC(C)=O)onc2c3cc(Br)c(O)cc3O
SMILES	CACTVS	3.385	COc1ccc(cc1)c2c(NC(C)=O)onc2c3cc(Br)c(O)cc3O
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	CC(=O)Nc1c(c(no1)c2cc(c(cc2O)O)Br)c3ccc(cc3)OC
SMILES	OpenEye OEToolkits	2.0.6	CC(=O)Nc1c(c(no1)c2cc(c(cc2O)O)Br)c3ccc(cc3)OC

219140

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