OX4

3-FLUORO-4-HYDROXYBENZALDEHYDE O-(CYCLOHEXYLCARBONYL)OXIME

Created:	2007-02-22
Last modified:	2011-06-04

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1 entries where OX4 is found as a standalone ligand1 entries where OX4 is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	35
Chiral Atom Count	0
Bond Count	36
Aromatic Bond Count	6

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Chemical Component Summary
Name	3-FLUORO-4-HYDROXYBENZALDEHYDE O-(CYCLOHEXYLCARBONYL)OXIME
Systematic Name (OpenEye OEToolkits)	[(3-fluoro-4-hydroxy-phenyl)methylideneamino] cyclohexanecarboxylate
Formula	C₁₄ H₁₆ F N O₃
Molecular Weight	265.28
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O\N=C\c1ccc(O)c(F)c1)C2CCCCC2
SMILES	CACTVS	3.341	Oc1ccc(C=NOC(=O)C2CCCCC2)cc1F
SMILES	OpenEye OEToolkits	1.5.0	c1cc(c(cc1C=NOC(=O)C2CCCCC2)F)O
Canonical SMILES	CACTVS	3.341	Oc1ccc(\C=N\OC(=O)C2CCCCC2)cc1F
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1cc(c(cc1\C=N\OC(=O)C2CCCCC2)F)O
InChI	InChI	1.03	InChI=1S/C14H16FNO3/c15-12-8-10(6-7-13(12)17)9-16-19-14(18)11-4-2-1-3-5-11/h6-9,11,17H,1-5H2/b16-9+
InChIKey	InChI	1.03	NPVNUGQNVVMJJP-CXUHLZMHSA-N

Drug Info: DrugBank

DrugBank ID	DB08334
Name	3-FLUORO-4-HYDROXYBENZALDEHYDE O-(CYCLOHEXYLCARBONYL)OXIME
Groups	experimental
Synonyms	3-FLUORO-4-HYDROXYBENZALDEHYDE O-(CYCLOHEXYLCARBONYL)OXIME

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Macrophage migration inhibitory factor	MPMFIVNTNVPRASVPDGFLSELTQQLAQATGKPPQYIAVHVVPDQLMAF...	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