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Summary Geometry Related PDB entries

A1AZA

Summary

Name:	2-(4-cyclopropyl-2-fluorophenyl)-1-[4-(6-fluoro[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethan-1-one
Formula:	C21 H20 F2 N4 O2
Formal charge:	0
Formula weight:	398.406 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	2-(4-cyclopropyl-2-fluorophenyl)-1-[4-(6-fluoro[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethan-1-one
OpenEye OEToolkits	2.0.7	2-(4-cyclopropyl-2-fluoranyl-phenyl)-1-[4-(6-fluoranyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Fc1cc(ccc1CC(=O)N1CCN(CC1)c1nc2ncc(F)cc2o1)C1CC1
InChI	InChI	1.06	InChI=1S/C21H20F2N4O2/c22-16-11-18-20(24-12-16)25-21(29-18)27-7-5-26(6-8-27)19(28)10-15-4-3-14(9-17(15)23)13-1-2-13/h3-4,9,11-13H,1-2,5-8,10H2
InChIKey	InChI	1.06	OUHGRNWLKXAVMD-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Fc1cnc2nc(oc2c1)N3CCN(CC3)C(=O)Cc4ccc(cc4F)C5CC5
SMILES	CACTVS	3.385	Fc1cnc2nc(oc2c1)N3CCN(CC3)C(=O)Cc4ccc(cc4F)C5CC5
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1cc(c(cc1C2CC2)F)CC(=O)N3CCN(CC3)c4nc5c(o4)cc(cn5)F
SMILES	OpenEye OEToolkits	2.0.7	c1cc(c(cc1C2CC2)F)CC(=O)N3CCN(CC3)c4nc5c(o4)cc(cn5)F

251801

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