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Summary Geometry Related PDB entries

DZ3

Summary

Name:	N-(3,5-dibromo-4-hydroxyphenyl)-4-hydroxy-3,5-dimethylbenzamide
Formula:	C15 H13 Br2 N O3
Formal charge:	0
Formula weight:	415.077 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	10.04	N-(3,5-dibromo-4-hydroxyphenyl)-4-hydroxy-3,5-dimethylbenzamide
OpenEye OEToolkits	1.5.0	N-(3,5-dibromo-4-hydroxy-phenyl)-4-hydroxy-3,5-dimethyl-benzamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Brc1cc(cc(Br)c1O)NC(=O)c2cc(c(O)c(c2)C)C
SMILES_CANONICAL	CACTVS	3.341	Cc1cc(cc(C)c1O)C(=O)Nc2cc(Br)c(O)c(Br)c2
SMILES	CACTVS	3.341	Cc1cc(cc(C)c1O)C(=O)Nc2cc(Br)c(O)c(Br)c2
SMILES_CANONICAL	OpenEye OEToolkits	1.5.0	Cc1cc(cc(c1O)C)C(=O)Nc2cc(c(c(c2)Br)O)Br
SMILES	OpenEye OEToolkits	1.5.0	Cc1cc(cc(c1O)C)C(=O)Nc2cc(c(c(c2)Br)O)Br
InChI	InChI	1.03	InChI=1S/C15H13Br2NO3/c1-7-3-9(4-8(2)13(7)19)15(21)18-10-5-11(16)14(20)12(17)6-10/h3-6,19-20H,1-2H3,(H,18,21)
InChIKey	InChI	1.03	HHFKUQZPNITQLU-UHFFFAOYSA-N

246704

PDB entries from 2025-12-24

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