8503

Source:http://linkedlifedata.com/resource/chembl/compound/8503

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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/C17H21N5O2/c1-5-21-15-13(16(23)22(6-2)17(21)24)18-14(19-15)11-7-9-12(10-8-11)20(3)4/h7-10H,5-6H2,1-4H3,(H,18,19)
chemicalCompound:standardIn...	XACOMWJOMNPJCH-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCN1C(=O)N(CC)c2[nH]c(nc2C1=O)c3ccc(cc3)N(C)C
chemicalCompound:molecularF...	C17 H21 N5 O2
chemicalCompound:moleculeId	8503
chemicalCompound:mwFreebase	327.381
chemicalCompound:alogp	2.201
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	72.53
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.06
chemicalCompound:acdLogP	2.209
chemicalCompound:acdLogD	2.205
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	327.381
chemicalCompound:acdMostBpk...	3.74
chemicalCompound:chemblId	CHEMBL273295
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:108503
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:864138, activity:864139