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Summary Geometry Related PDB entries

ZI6

Summary

Name:	3-[[5-bromanyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]methoxy]-2,6-bis(fluoranyl)benzamide
Formula:	C18 H10 Br F5 N2 O3
Formal charge:	0
Formula weight:	477.18 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.6	3-[[5-bromanyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]methoxy]-2,6-bis(fluoranyl)benzamide

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.03	InChI=1S/C18H10BrF5N2O3/c19-16-15(8-1-3-9(4-2-8)18(22,23)24)26-12(29-16)7-28-11-6-5-10(20)13(14(11)21)17(25)27/h1-6H,7H2,(H2,25,27)
InChIKey	InChI	1.03	ONGPJYSSZQHFBU-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	NC(=O)c1c(F)ccc(OCc2oc(Br)c(n2)c3ccc(cc3)C(F)(F)F)c1F
SMILES	CACTVS	3.385	NC(=O)c1c(F)ccc(OCc2oc(Br)c(n2)c3ccc(cc3)C(F)(F)F)c1F
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	c1cc(ccc1c2c(oc(n2)COc3ccc(c(c3F)C(=O)N)F)Br)C(F)(F)F
SMILES	OpenEye OEToolkits	2.0.6	c1cc(ccc1c2c(oc(n2)COc3ccc(c(c3F)C(=O)N)F)Br)C(F)(F)F

227111

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