MSR

4-(1H-IMIDAZOL-1-YL)PHENOL

Created:	2007-02-06
Last modified:	2011-06-04

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4 entries where MSR is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	20
Chiral Atom Count	0
Bond Count	21
Aromatic Bond Count	12

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Chemical Component Summary
Name	4-(1H-IMIDAZOL-1-YL)PHENOL
Systematic Name (OpenEye OEToolkits)	4-imidazol-1-ylphenol
Formula	C₉ H₈ N₂ O
Molecular Weight	160.173
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	n2ccn(c1ccc(O)cc1)c2
SMILES	CACTVS	3.341	Oc1ccc(cc1)n2ccnc2
SMILES	OpenEye OEToolkits	1.5.0	c1cc(ccc1n2ccnc2)O
Canonical SMILES	CACTVS	3.341	Oc1ccc(cc1)n2ccnc2
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1cc(ccc1n2ccnc2)O
InChI	InChI	1.03	InChI=1S/C9H8N2O/c12-9-3-1-8(2-4-9)11-6-5-10-7-11/h1-7,12H
InChIKey	InChI	1.03	CYKCUAPYWQDIKR-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB08214
Name	4-(1H-IMIDAZOL-1-YL)PHENOL
Groups	experimental
Synonyms	4-(1H-IMIDAZOL-1-YL)PHENOL

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Nitric oxide synthase, inducible	MACPWKFLFKTKFHQYAMNGEKDINNNVEKAPCATSSPVTQDDLQYHNLS...	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