UI3

7-METHOXY-8-[1-(METHYLSULFONYL)-1H-PYRAZOL-4-YL]NAPHTHALENE-2-CARBOXIMIDAMIDE

Created:	2004-03-26
Last modified:	2011-06-04

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2 entries where UI3 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	40
Chiral Atom Count	0
Bond Count	42
Aromatic Bond Count	17

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Chemical Component Summary
Name	7-METHOXY-8-[1-(METHYLSULFONYL)-1H-PYRAZOL-4-YL]NAPHTHALENE-2-CARBOXIMIDAMIDE
Systematic Name (OpenEye OEToolkits)	7-methoxy-8-(1-methylsulfonylpyrazol-4-yl)naphthalene-2-carboximidamide
Formula	C₁₆ H₁₆ N₄ O₃ S
Molecular Weight	344.388
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=S(=O)(n3ncc(c1c(OC)ccc2c1cc(C(=[N@H])N)cc2)c3)C
SMILES	CACTVS	3.341	COc1ccc2ccc(cc2c1c3cnn(c3)[S](C)(=O)=O)C(N)=N
SMILES	OpenEye OEToolkits	1.5.0	[H]N=C(c1ccc2ccc(c(c2c1)c3cnn(c3)S(=O)(=O)C)OC)N
Canonical SMILES	CACTVS	3.341	COc1ccc2ccc(cc2c1c3cnn(c3)[S](C)(=O)=O)C(N)=N
Canonical SMILES	OpenEye OEToolkits	1.5.0	[H]/N=C(/c1ccc2ccc(c(c2c1)c3cnn(c3)S(=O)(=O)C)OC)\N
InChI	InChI	1.03	InChI=1S/C16H16N4O3S/c1-23-14-6-5-10-3-4-11(16(17)18)7-13(10)15(14)12-8-19-20(9-12)24(2,21)22/h3-9H,1-2H3,(H3,17,18)
InChIKey	InChI	1.03	KQUXAFOLFXHVQN-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB03046
Name	7-Methoxy-8-[1-(Methylsulfonyl)-1h-Pyrazol-4-Yl]Naphthalene-2-Carboximidamide
Groups	experimental
Synonyms	7-Methoxy-8-[1-(Methylsulfonyl)-1h-Pyrazol-4-Yl]Naphthalene-2-Carboximidamide

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Urokinase-type plasminogen activator	MRALLARLLLCVLVVSDSKGSNELHQVPSNCDCLNGGTCVSNKYFSNIHW...	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