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Summary Geometry Related PDB entries

2P7

Summary

Name:	[3,4-BIS(FLUORANYL)-2-[(2-FLUORANYL-4-IODANYL-PHENYL)AMINO]PHENYL]-(3-OXIDANYLAZETIDIN-1-YL)METHANONE
Formula:	C16 H12 F3 I N2 O2
Formal charge:	0
Formula weight:	448.178 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	{3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl}(3-hydroxyazetidin-1-yl)methanone
OpenEye OEToolkits	1.9.2	[3,4-bis(fluoranyl)-2-[(2-fluoranyl-4-iodanyl-phenyl)amino]phenyl]-(3-oxidanylazetidin-1-yl)methanone

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(c2c(Nc1ccc(I)cc1F)c(F)c(F)cc2)N3CC(O)C3
InChI	InChI	1.03	InChI=1S/C16H12F3IN2O2/c17-11-3-2-10(16(24)22-6-9(23)7-22)15(14(11)19)21-13-4-1-8(20)5-12(13)18/h1-5,9,21,23H,6-7H2
InChIKey	InChI	1.03	COACPTNNJAFVAN-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	OC1CN(C1)C(=O)c2ccc(F)c(F)c2Nc3ccc(I)cc3F
SMILES	CACTVS	3.385	OC1CN(C1)C(=O)c2ccc(F)c(F)c2Nc3ccc(I)cc3F
SMILES_CANONICAL	OpenEye OEToolkits	1.9.2	c1cc(c(cc1I)F)Nc2c(ccc(c2F)F)C(=O)N3CC(C3)O
SMILES	OpenEye OEToolkits	1.9.2	c1cc(c(cc1I)F)Nc2c(ccc(c2F)F)C(=O)N3CC(C3)O

249524

PDB entries from 2026-02-18

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