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Summary Geometry Related PDB entries

A1I6X

Summary

Name:	bixafen
Synonyms:	3-[bis(fluoranyl)methyl]-~{N}-[2-(3,4-dichlorophenyl)-4-fluoranyl-phenyl]-1-methyl-pyrazole-4-carboxamide
Formula:	C18 H12 Cl2 F3 N3 O
Formal charge:	0
Formula weight:	414.209 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	3-[bis(fluoranyl)methyl]-~{N}-[2-(3,4-dichlorophenyl)-4-fluoranyl-phenyl]-1-methyl-pyrazole-4-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C18H12Cl2F3N3O/c1-26-8-12(16(25-26)17(22)23)18(27)24-15-5-3-10(21)7-11(15)9-2-4-13(19)14(20)6-9/h2-8,17H,1H3,(H,24,27)
InChIKey	InChI	1.06	LDLMOOXUCMHBMZ-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cn1cc(C(=O)Nc2ccc(F)cc2c3ccc(Cl)c(Cl)c3)c(n1)C(F)F
SMILES	CACTVS	3.385	Cn1cc(C(=O)Nc2ccc(F)cc2c3ccc(Cl)c(Cl)c3)c(n1)C(F)F
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cn1cc(c(n1)C(F)F)C(=O)Nc2ccc(cc2c3ccc(c(c3)Cl)Cl)F
SMILES	OpenEye OEToolkits	2.0.7	Cn1cc(c(n1)C(F)F)C(=O)Nc2ccc(cc2c3ccc(c(c3)Cl)Cl)F

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PDB entries from 2026-02-11

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