E70

N-{2-[(4-hydroxyphenyl)amino]pyridin-3-yl}-4-methoxybenzenesulfonamide

Created:	2009-05-27
Last modified:	2011-06-04

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1 entries where E70 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	43
Chiral Atom Count	0
Bond Count	45
Aromatic Bond Count	18

2D diagram of E70

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Chemical Component Summary
Name	N-{2-[(4-hydroxyphenyl)amino]pyridin-3-yl}-4-methoxybenzenesulfonamide
Systematic Name (OpenEye OEToolkits)	N-[2-[(4-hydroxyphenyl)amino]pyridin-3-yl]-4-methoxy-benzenesulfonamide
Formula	C₁₈ H₁₇ N₃ O₄ S
Molecular Weight	371.41
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=S(=O)(c1ccc(OC)cc1)Nc3cccnc3Nc2ccc(O)cc2
SMILES	CACTVS	3.341	COc1ccc(cc1)[S](=O)(=O)Nc2cccnc2Nc3ccc(O)cc3
SMILES	OpenEye OEToolkits	1.5.0	COc1ccc(cc1)S(=O)(=O)Nc2cccnc2Nc3ccc(cc3)O
Canonical SMILES	CACTVS	3.341	COc1ccc(cc1)[S](=O)(=O)Nc2cccnc2Nc3ccc(O)cc3
Canonical SMILES	OpenEye OEToolkits	1.5.0	COc1ccc(cc1)S(=O)(=O)Nc2cccnc2Nc3ccc(cc3)O
InChI	InChI	1.03	InChI=1S/C18H17N3O4S/c1-25-15-8-10-16(11-9-15)26(23,24)21-17-3-2-12-19-18(17)20-13-4-6-14(22)7-5-13/h2-12,21-22H,1H3,(H,19,20)
InChIKey	InChI	1.03	URCVCIZFVQDVPM-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB12254
Name	ABT-751
Groups	investigational
Description	ABT-751 has been investigated for the treatment of Lung Cancer, Non-Small Cell Lung Cancer, and Non-Small-Cell Lung Cancer.
Synonyms	N-[2-(4-hydroxyanilino)-3-pyridinyl]-4-methoxybenzenesulfonamide ABT-751 N-[2-(4-hydroxyanilino)pyridin-3-yl]-4-methoxybenzenesulfonamide N-[2-[(4-hydroxyphenyl)amino]-3-pyridinyl]-4-methoxybenzenesulfonamide
Categories	Amides Amines Aniline Compounds Benzene Derivatives Phenols Sulfonamides Sulfones Sulfur Compounds
CAS number	141430-65-1

Related Resource References

Resource Name	Reference
PubChem	3035714
ChEMBL	CHEMBL20684
ChEBI	CHEBI:95043

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.