2RB

N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]-4-methoxybenzohydrazide

Created:	2008-07-16
Last modified:	2011-06-04

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1 entries where 2RB is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	35
Chiral Atom Count	0
Bond Count	36
Aromatic Bond Count	12

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Chemical Component Summary
Name	N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]-4-methoxybenzohydrazide
Systematic Name (OpenEye OEToolkits)	N-[(3,5-dibromo-2,4-dihydroxy-phenyl)methylideneamino]-4-methoxy-benzamide
Formula	C₁₅ H₁₂ Br₂ N₂ O₄
Molecular Weight	444.075
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Brc1cc(c(O)c(Br)c1O)\C=N\NC(=O)c2ccc(OC)cc2
SMILES	CACTVS	3.341	COc1ccc(cc1)C(=O)NN=Cc2cc(Br)c(O)c(Br)c2O
SMILES	OpenEye OEToolkits	1.5.0	COc1ccc(cc1)C(=O)NN=Cc2cc(c(c(c2O)Br)O)Br
Canonical SMILES	CACTVS	3.341	COc1ccc(cc1)C(=O)N\N=C\c2cc(Br)c(O)c(Br)c2O
Canonical SMILES	OpenEye OEToolkits	1.5.0	COc1ccc(cc1)C(=O)N/N=C/c2cc(c(c(c2O)Br)O)Br
InChI	InChI	1.03	InChI=1S/C15H12Br2N2O4/c1-23-10-4-2-8(3-5-10)15(22)19-18-7-9-6-11(16)14(21)12(17)13(9)20/h2-7,20-21H,1H3,(H,19,22)/b18-7+
InChIKey	InChI	1.03	BMGXNERTVNWBJG-CNHKJKLMSA-N

Drug Info: DrugBank

DrugBank ID	DB06978
Name	N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]-4-methoxybenzohydrazide
Groups	experimental
Synonyms	N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]-4-methoxybenzohydrazide

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
3-hydroxyacyl-[acyl-carrier-protein] dehydratase FabZ	MEQSHQNLQSQFFIEHILQILPHRYPMLLVDRITELQANQKIVAYKNITF...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682