MR4

4-(1,3-BENZOXAZOL-2-YL)-2,6-DIMETHYLPHENOL

Created:	2007-07-06
Last modified:	2011-06-04

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1 entries where MR4 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	31
Chiral Atom Count	0
Bond Count	33
Aromatic Bond Count	17

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Chemical Component Summary
Name	4-(1,3-BENZOXAZOL-2-YL)-2,6-DIMETHYLPHENOL
Systematic Name (OpenEye OEToolkits)	4-(1,3-benzoxazol-2-yl)-2,6-dimethyl-phenol
Formula	C₁₅ H₁₃ N O₂
Molecular Weight	239.269
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	n1c3ccccc3oc1c2cc(c(O)c(c2)C)C
SMILES	CACTVS	3.341	Cc1cc(cc(C)c1O)c2oc3ccccc3n2
SMILES	OpenEye OEToolkits	1.5.0	Cc1cc(cc(c1O)C)c2nc3ccccc3o2
Canonical SMILES	CACTVS	3.341	Cc1cc(cc(C)c1O)c2oc3ccccc3n2
Canonical SMILES	OpenEye OEToolkits	1.5.0	Cc1cc(cc(c1O)C)c2nc3ccccc3o2
InChI	InChI	1.03	InChI=1S/C15H13NO2/c1-9-7-11(8-10(2)14(9)17)15-16-12-5-3-4-6-13(12)18-15/h3-8,17H,1-2H3
InChIKey	InChI	1.03	NORYHCMDDBZXDX-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB08205
Name	4-(1,3-BENZOXAZOL-2-YL)-2,6-DIMETHYLPHENOL
Groups	experimental
Synonyms	4-(1,3-BENZOXAZOL-2-YL)-2,6-DIMETHYLPHENOL

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Transthyretin	MASHRLLLLCLAGLVFVSEAGPTGTGESKCPLMVKVLDAVRGSPAINVAV...	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