1018381

Source:http://linkedlifedata.com/resource/chembl/compound/1018381

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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/C18H16ClN3O/c1-2-16(12-3-6-14(23)7-4-12)21-22-17-9-10-20-18-11-13(19)5-8-15(17)18/h3-11,23H,2H2,1H3,(H,20,22)
chemicalCompound:standardIn...	WOZNDRYNJWTXRL-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCC(=NNc1ccnc2cc(Cl)ccc12)c3ccc(O)cc3
chemicalCompound:molecularF...	C18H16ClN3O
chemicalCompound:moleculeId	1018381
chemicalCompound:mwFreebase	325.792
chemicalCompound:alogp	4.704
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	57.51
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.465
chemicalCompound:acdLogP	3.8
chemicalCompound:acdLogD	3.771
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	325.792
chemicalCompound:acdMostBpk...	6.403
chemicalCompound:chemblId	CHEMBL1594497
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1118381
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:4208041, activity:4304284, activity:4433138, activity:4539251, activity:4710209, activity:4988737, activity:5019831, activity:5329892, activity:5361489, activity:5409681, activity:5530680, activity:5538363, activity:5564074, activity:5571310, activity:5705354, activity:5803950, activity:5855526, activity:5860948, activity:5881649, activity:5973754, activity:6458363, activity:6574566, activity:6737713, activity:7188279, activity:7315858, activity:7418212, activity:7544527