387709

Source:http://linkedlifedata.com/resource/chembl/compound/387709

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C19H27FN2O4/c1-2-3-4-5-6-7-8-9-10-14-12-22(19(25)21-18(14)24)17-11-15(20)16(13-23)26-17/h12,15-17,23H,2-8,11,13H2,1H3,(H,21,24,25)/t15-,16+,17+/m0/s1
chemicalCompound:standardIn...	XWOZZHXXESHULU-GVDBMIGSSA-N
chemicalCompound:canonicalS...	CCCCCCCCC#CC1=CN([C@H]2C[C@H](F)[C@@H](CO)O2)C(=O)NC1=O
chemicalCompound:molecularF...	C19 H27 F N2 O4
chemicalCompound:moleculeId	387709
chemicalCompound:mwFreebase	366.427
chemicalCompound:alogp	3.486
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	78.87
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	8.337
chemicalCompound:acdLogP	4.015
chemicalCompound:acdLogD	3.968
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	366.427
chemicalCompound:chemblId	CHEMBL245194
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:487709
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:activity	activity:1916567, activity:1916598, activity:1916630, activity:1916726, activity:1916756, activity:1916804, activity:1916831, activity:1917236, activity:1917256, activity:1917454, activity:1917460