128726

Source:http://linkedlifedata.com/resource/chembl/compound/128726

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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/C19H25N3/c1-13(2)15-5-9-17(10-6-15)21-19(20)22-18-11-7-16(8-12-18)14(3)4/h5-14H,1-4H3,(H3,20,21,22)
chemicalCompound:standardIn...	WIULPOAMZNPPJM-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)c1ccc(NC(=N)Nc2ccc(cc2)C(C)C)cc1
chemicalCompound:molecularF...	C19 H25 N3
chemicalCompound:moleculeId	128726
chemicalCompound:mwFreebase	295.422
chemicalCompound:alogp	4.965
chemicalCompound:hba	1
chemicalCompound:hbd	3
chemicalCompound:psa	47.91
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	5.174
chemicalCompound:acdLogD	4.761
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	295.422
chemicalCompound:acdMostBpk...	10.648
chemicalCompound:chemblId	CHEMBL81626
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:228726
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:121269, activity:121270, activity:121271, activity:121272, activity:832687, activity:832688, activity:917073, activity:917074