786391

Source:http://linkedlifedata.com/resource/chembl/compound/786391

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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/C18H13ClN4O2/c1-25-11-7-6-10-8-13-16(20)22-23(17(13)21-15(10)9-11)18(24)12-4-2-3-5-14(12)19/h2-9H,1H3,(H2,20,22)
chemicalCompound:standardIn...	ZGWOZTCJQJPLQM-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccc2cc3c(N)nn(C(=O)c4ccccc4Cl)c3nc2c1
chemicalCompound:molecularF...	C18H13ClN4O2
chemicalCompound:moleculeId	786391
chemicalCompound:mwFreebase	352.774
chemicalCompound:alogp	3.953
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	83.03
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	0.963
chemicalCompound:acdLogD	0.963
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	352.774
chemicalCompound:acdMostBpk...	2.979
chemicalCompound:chemblId	CHEMBL1362507
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:886391
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:3613055, activity:3656949, activity:3698988, activity:3700298, activity:3739237, activity:3812410, activity:3814018, activity:3867198, activity:3969185, activity:4028532, activity:4059630, activity:4325589, activity:4824309, activity:4905861, activity:4923100, activity:4957921, activity:4982791, activity:5004646, activity:5454752, activity:5466694, activity:5616627, activity:5921995, activity:6433544, activity:6550542, activity:6818181, activity:6991226, activity:7163896, activity:7250054, activity:7280592, activity:7351197, activity:7422670