SCL

ACETIC ACID SALICYLOYL-AMINO-ESTER

Created:	2000-02-01
Last modified:	2011-06-04

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1 entries where SCL is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	23
Chiral Atom Count	0
Bond Count	23
Aromatic Bond Count	6

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Chemical Component Summary
Name	ACETIC ACID SALICYLOYL-AMINO-ESTER
Systematic Name (OpenEye OEToolkits)	[(2-hydroxyphenyl)carbonylamino] ethanoate
Formula	C₉ H₉ N O₄
Molecular Weight	195.172
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(c1ccccc1O)NOC(=O)C
SMILES	CACTVS	3.341	CC(=O)ONC(=O)c1ccccc1O
SMILES	OpenEye OEToolkits	1.5.0	CC(=O)ONC(=O)c1ccccc1O
Canonical SMILES	CACTVS	3.341	CC(=O)ONC(=O)c1ccccc1O
Canonical SMILES	OpenEye OEToolkits	1.5.0	CC(=O)ONC(=O)c1ccccc1O
InChI	InChI	1.03	InChI=1S/C9H9NO4/c1-6(11)14-10-9(13)7-4-2-3-5-8(7)12/h2-5,12H,1H3,(H,10,13)
InChIKey	InChI	1.03	PCFWLDHLJWUGSU-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB03667
Name	Acetic Acid Salicyloyl-Amino-Ester
Groups	experimental
Synonyms	Acetic Acid Salicyloyl-Amino-Ester

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Prostaglandin G/H synthase 1	MSRSLLLWFLLFLLLLPPLPVLLADPGAPTPVNPCCYYPCQHQGICVRFG...	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