569488

Source:http://linkedlifedata.com/resource/chembl/compound/569488

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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/C17H14ClN5O4/c18-10-3-1-9(2-4-10)11-5-22-16(25)14-15(21-17(22)20-11)23(8-19-14)12-7-26-13(6-24)27-12/h1-5,8,12-13,24H,6-7H2,(H,20,21)/t12-,13-/m1/s1
chemicalCompound:standardIn...	PHUIQFJUYZHEJR-CHWSQXEVSA-N
chemicalCompound:canonicalS...	OC[C@@H]1OC[C@@H](O1)n2cnc3C(=O)N4C=C(NC4=Nc23)c5ccc(Cl)cc5
chemicalCompound:molecularF...	C17H14ClN5O4
chemicalCompound:moleculeId	569488
chemicalCompound:mwFreebase	387.777
chemicalCompound:alogp	0.728
chemicalCompound:hba	7
chemicalCompound:hbd	2
chemicalCompound:psa	101.21
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	1.346
chemicalCompound:acdLogD	1.346
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	387.777
chemicalCompound:acdMostBpk...	2.212
chemicalCompound:chemblId	CHEMBL585362
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:669488
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:2909888, activity:2909918, activity:2917777, activity:2917798, activity:2917832, activity:2917863, activity:2917882