209594

Source:http://linkedlifedata.com/resource/chembl/compound/209594

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:209594_Benoxinate_FDA_ALTERNATIVE_NAME
chemicalCompound:standardIn...	InChI=1S/C17H28N2O3/c1-4-7-11-21-16-13-14(8-9-15(16)18)17(20)22-12-10-19(5-2)6-3/h8-9,13H,4-7,10-12,18H2,1-3H3
chemicalCompound:standardIn...	CMHHMUWAYWTMGS-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCCOc1cc(ccc1N)C(=O)OCCN(CC)CC
chemicalCompound:molecularF...	C17 H28 N2 O3
chemicalCompound:moleculeId	209594
chemicalCompound:mwFreebase	308.416
chemicalCompound:alogp	3.087
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	64.79
chemicalCompound:rtb	11
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.496
chemicalCompound:acdLogD	2.713
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	308.416
chemicalCompound:acdMostBpk...	9.159
chemicalCompound:chemblId	CHEMBL1200
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:309594
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	Yes
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	BENOXINATE
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:309594
chemicalCompound:activity	activity:345626, activity:345627, activity:1505016, activity:3939348, activity:4129033, activity:4398474, activity:4520855, activity:4635120, activity:4711351, activity:4949877, activity:6002270, activity:6006077, activity:6006666, activity:6009214, activity:6047208, activity:6697247