2BC

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

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

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1 entries where 2BC is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	37
Chiral Atom Count	0
Bond Count	39
Aromatic Bond Count	17

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Chemical Component Summary
Name	N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]naphthalene-2-carbohydrazide
Systematic Name (OpenEye OEToolkits)	N-[(3,5-dibromo-2,4-dihydroxy-phenyl)methylideneamino]naphthalene-2-carboxamide
Formula	C₁₈ H₁₂ Br₂ N₂ O₃
Molecular Weight	464.107
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Brc1cc(c(O)c(Br)c1O)\C=N\NC(=O)c3cc2ccccc2cc3
SMILES	CACTVS	3.341	Oc1c(Br)cc(C=NNC(=O)c2ccc3ccccc3c2)c(O)c1Br
SMILES	OpenEye OEToolkits	1.5.0	c1ccc2cc(ccc2c1)C(=O)NN=Cc3cc(c(c(c3O)Br)O)Br
Canonical SMILES	CACTVS	3.341	Oc1c(Br)cc(/C=N/NC(=O)c2ccc3ccccc3c2)c(O)c1Br
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1ccc2cc(ccc2c1)C(=O)N/N=C/c3cc(c(c(c3O)Br)O)Br
InChI	InChI	1.03	InChI=1S/C18H12Br2N2O3/c19-14-8-13(16(23)15(20)17(14)24)9-21-22-18(25)12-6-5-10-3-1-2-4-11(10)7-12/h1-9,23-24H,(H,22,25)/b21-9+
InChIKey	InChI	1.03	LVLHTGJPIBVDTM-ZVBGSRNCSA-N

Drug Info: DrugBank

DrugBank ID	DB06949
Name	N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]naphthalene-2-carbohydrazide
Groups	experimental
Synonyms	N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]naphthalene-2-carbohydrazide

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