428726

Source:http://linkedlifedata.com/resource/chembl/compound/428726

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C15H17NO2/c1-11-8-9-12(2)16(11)14(15(17)18)10-13-6-4-3-5-7-13/h3-9,14H,10H2,1-2H3,(H,17,18)
chemicalCompound:standardIn...	CIUPYBFUPLMRLH-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1ccc(C)n1C(Cc2ccccc2)C(=O)O
chemicalCompound:molecularF...	C15 H17 N O2
chemicalCompound:moleculeId	428726
chemicalCompound:mwFreebase	243.301
chemicalCompound:alogp	2.942
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	42.23
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	2.592
chemicalCompound:acdLogP	2.474
chemicalCompound:acdLogD	-1.207
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	243.301
chemicalCompound:chemblId	CHEMBL259355
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:528726
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:2155891, activity:2155921, activity:2155956, activity:2155986, activity:2156016, activity:2156046, activity:2156076, activity:2156106, activity:3620669, activity:3691347, activity:3694348, activity:3720419, activity:3774621, activity:3930543, activity:4039829, activity:4254314, activity:4278202, activity:4321789, activity:4449689, activity:4523511, activity:4613627, activity:4840238, activity:4849554, activity:4917588, activity:4937724, activity:5056197, activity:5071276, activity:5337446, activity:5512813, activity:5525113, activity:5541331, activity:5733746, activity:5810685, activity:5859307, activity:5978982, activity:6007005, activity:6014808, activity:6021345, activity:6054266, activity:6064950, activity:6566122