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Summary Geometry Related PDB entries

2NR

Summary

Name:	7-(2-fluoro-6-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine
Formula:	C23 H21 F N2 O5
Formal charge:	0
Formula weight:	424.422 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	7-(2-fluoro-6-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine
OpenEye OEToolkits	1.7.6	7-(2-fluoranyl-6-methoxy-phenyl)-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Fc4cccc(OC)c4c1cccc2nc(oc12)Nc3cc(OC)c(OC)c(OC)c3
InChI	InChI	1.03	InChI=1S/C23H21FN2O5/c1-27-17-10-6-8-15(24)20(17)14-7-5-9-16-21(14)31-23(26-16)25-13-11-18(28-2)22(30-4)19(12-13)29-3/h5-12H,1-4H3,(H,25,26)
InChIKey	InChI	1.03	ZDYXRELDNKSUBF-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	COc1cc(Nc2oc3c(cccc3c4c(F)cccc4OC)n2)cc(OC)c1OC
SMILES	CACTVS	3.385	COc1cc(Nc2oc3c(cccc3c4c(F)cccc4OC)n2)cc(OC)c1OC
SMILES_CANONICAL	OpenEye OEToolkits	1.7.6	COc1cccc(c1c2cccc3c2oc(n3)Nc4cc(c(c(c4)OC)OC)OC)F
SMILES	OpenEye OEToolkits	1.7.6	COc1cccc(c1c2cccc3c2oc(n3)Nc4cc(c(c(c4)OC)OC)OC)F

225946

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