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Summary Geometry Related PDB entries

A1JGT

Summary

Name:	4-fluoranyl-~{N}-(3-phenoxypropyl)-~{N}-(1,2-thiazol-5-ylmethyl)-2,3-dihydroindole-1-carboxamide
Formula:	C22 H22 F N3 O2 S
Formal charge:	0
Formula weight:	411.492 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	4-fluoranyl-~{N}-(3-phenoxypropyl)-~{N}-(1,2-thiazol-5-ylmethyl)-2,3-dihydroindole-1-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C22H22FN3O2S/c23-20-8-4-9-21-19(20)11-14-26(21)22(27)25(16-18-10-12-24-29-18)13-5-15-28-17-6-2-1-3-7-17/h1-4,6-10,12H,5,11,13-16H2
InChIKey	InChI	1.06	WXAUFINAUCZLAN-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Fc1cccc2N(CCc12)C(=O)N(CCCOc3ccccc3)Cc4sncc4
SMILES	CACTVS	3.385	Fc1cccc2N(CCc12)C(=O)N(CCCOc3ccccc3)Cc4sncc4
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1ccc(cc1)OCCCN(Cc2ccns2)C(=O)N3CCc4c3cccc4F
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)OCCCN(Cc2ccns2)C(=O)N3CCc4c3cccc4F

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PDB entries from 2026-04-01

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