19308

Source:http://linkedlifedata.com/resource/chembl/compound/19308

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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/C16H20N6O2/c1-22(11-6-10(23-2)4-5-12(11)24-3)8-9-7-19-15-13(9)14(17)20-16(18)21-15/h4-7H,8H2,1-3H3,(H5,17,18,19,20,21)
chemicalCompound:standardIn...	JSLWFRFGAYXGRR-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccc(OC)c(c1)N(C)Cc2c[nH]c3nc(N)nc(N)c23
chemicalCompound:molecularF...	C16H20N6O2
chemicalCompound:moleculeId	19308
chemicalCompound:mwFreebase	328.369
chemicalCompound:alogp	1.823
chemicalCompound:hba	7
chemicalCompound:hbd	3
chemicalCompound:psa	115.3
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.705
chemicalCompound:acdLogD	0.878
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	328.369
chemicalCompound:acdMostBpk...	8.062
chemicalCompound:chemblId	CHEMBL17453
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:119308
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:801690, activity:801691, activity:801692, activity:3101618, activity:3101738, activity:3101768