English 日本語简体中文繁體中文 한국어

✖

Menu

RCSB PDB PDBe BMRB Adv. Search Search help

Summary Geometry Related PDB entries

A1ETK

Summary

Name:	5-[2-fluoranyl-6-oxidanyl-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)phenyl]-1,1-bis(oxidanylidene)-1,2,5-thiadiazolidin-3-one
Formula:	C15 H15 F N4 O4 S
Formal charge:	0
Formula weight:	366.367 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	5-[2-fluoranyl-6-oxidanyl-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)phenyl]-1,1-bis(oxidanylidene)-1,2,5-thiadiazolidin-3-one

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C15H15FN4O4S/c16-11-5-9(10-7-17-19-4-2-1-3-12(10)19)6-13(21)15(11)20-8-14(22)18-25(20,23)24/h5-7,21H,1-4,8H2,(H,18,22)
InChIKey	InChI	1.06	SQZMXWLMZXXUEK-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Oc1cc(cc(F)c1N2CC(=O)N[S]2(=O)=O)c3cnn4CCCCc34
SMILES	CACTVS	3.385	Oc1cc(cc(F)c1N2CC(=O)N[S]2(=O)=O)c3cnn4CCCCc34
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1c(cc(c(c1O)N2CC(=O)NS2(=O)=O)F)c3cnn4c3CCCC4
SMILES	OpenEye OEToolkits	2.0.7	c1c(cc(c(c1O)N2CC(=O)NS2(=O)=O)F)c3cnn4c3CCCC4

250835

PDB entries from 2026-03-18

PDB statistics

PDBj update info

Contact PDBj

numon