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Summary Geometry Related PDB entries

A1EF4

Summary

Name:	2-[[2-chloranyl-4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-fluoranyl-phenyl]amino]-5-methoxy-benzoic acid
Formula:	C19 H16 Cl F N2 O4
Formal charge:	0
Formula weight:	390.793 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	2-[[2-chloranyl-4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-fluoranyl-phenyl]amino]-5-methoxy-benzoic acid

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C19H16ClFN2O4/c1-9-17(10(2)27-23-9)11-6-14(20)18(15(21)7-11)22-16-5-4-12(26-3)8-13(16)19(24)25/h4-8,22H,1-3H3,(H,24,25)
InChIKey	InChI	1.06	LPUCIEIAOLPFAI-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	COc1ccc(Nc2c(F)cc(cc2Cl)c3c(C)onc3C)c(c1)C(O)=O
SMILES	CACTVS	3.385	COc1ccc(Nc2c(F)cc(cc2Cl)c3c(C)onc3C)c(c1)C(O)=O
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1c(c(on1)C)c2cc(c(c(c2)Cl)Nc3ccc(cc3C(=O)O)OC)F
SMILES	OpenEye OEToolkits	2.0.7	Cc1c(c(on1)C)c2cc(c(c(c2)Cl)Nc3ccc(cc3C(=O)O)OC)F

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