1BA

4-HYDROXY-N'-(4-ISOPROPYLBENZYL)BENZOHYDRAZIDE

Created:	2006-04-21
Last modified:	2011-06-04

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1 entries where 1BA is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	41
Chiral Atom Count	0
Bond Count	42
Aromatic Bond Count	12

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Chemical Component Summary
Name	4-HYDROXY-N'-(4-ISOPROPYLBENZYL)BENZOHYDRAZIDE
Systematic Name (OpenEye OEToolkits)	4-hydroxy-N'-[(4-propan-2-ylphenyl)methyl]benzohydrazide
Formula	C₁₇ H₂₀ N₂ O₂
Molecular Weight	284.353
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(c1ccc(O)cc1)NNCc2ccc(cc2)C(C)C
SMILES	CACTVS	3.341	CC(C)c1ccc(CNNC(=O)c2ccc(O)cc2)cc1
SMILES	OpenEye OEToolkits	1.5.0	CC(C)c1ccc(cc1)CNNC(=O)c2ccc(cc2)O
Canonical SMILES	CACTVS	3.341	CC(C)c1ccc(CNNC(=O)c2ccc(O)cc2)cc1
Canonical SMILES	OpenEye OEToolkits	1.5.0	CC(C)c1ccc(cc1)CNNC(=O)c2ccc(cc2)O
InChI	InChI	1.03	InChI=1S/C17H20N2O2/c1-12(2)14-5-3-13(4-6-14)11-18-19-17(21)15-7-9-16(20)10-8-15/h3-10,12,18,20H,11H2,1-2H3,(H,19,21)
InChIKey	InChI	1.03	MFDXHRPPSJRQFX-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB06884
Name	4-HYDROXY-N'-(4-ISOPROPYLBENZYL)BENZOHYDRAZIDE
Groups	experimental
Synonyms	4-HYDROXY-N'-(4-ISOPROPYLBENZYL)BENZOHYDRAZIDE

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Estrogen-related receptor gamma	MDSVELCLPESFSLHYEEELLCRMSNKDRHIDSSCSSFIKTEPSSPASLT...	unknown
Nuclear receptor-interacting protein 1	MTHGEELGSDVHQDSIVLTYLEGLLMHQAAGGSGTAVDKKSAGHNEEDQN...	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