51286

Source:http://linkedlifedata.com/resource/chembl/compound/51286

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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/C21H19N3/c1-24(2)16-13-11-15(12-14-16)22-21-17-7-3-5-9-19(17)23-20-10-6-4-8-18(20)21/h3-14H,1-2H3,(H,22,23)
chemicalCompound:standardIn...	WBERNRVMJQYKKR-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN(C)c1ccc(Nc2c3ccccc3nc4ccccc24)cc1
chemicalCompound:molecularF...	C21H19N3
chemicalCompound:moleculeId	51286
chemicalCompound:mwFreebase	313.396
chemicalCompound:alogp	5.065
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	28.16
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.801
chemicalCompound:acdLogD	4.5
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	313.396
chemicalCompound:acdMostBpk...	8.828
chemicalCompound:chemblId	CHEMBL34941
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:151286
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:506908, activity:506909, activity:506910, activity:506911, activity:506912, activity:506913, activity:506914, activity:802995, activity:802996, activity:802997, activity:802998, activity:802999, activity:803000, activity:1033716, activity:1033717, activity:1033718, activity:1186393, activity:1186394, activity:1186395, activity:1278412, activity:1278413, activity:3048121, activity:3051612, activity:3390096