1314704

Source:http://linkedlifedata.com/resource/chembl/compound/1314704

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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/C19H13ClN4O/c20-16-9-13(15-11-22-18-14(15)7-4-8-21-18)10-17(23-16)24-19(25)12-5-2-1-3-6-12/h1-11H,(H,21,22)(H,23,24,25)
chemicalCompound:standardIn...	JFKIXRTUZAZONT-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Clc1cc(cc(NC(=O)c2ccccc2)n1)c3c[nH]c4ncccc34
chemicalCompound:molecularF...	C19H13ClN4O
chemicalCompound:moleculeId	1314704
chemicalCompound:mwFreebase	348.786
chemicalCompound:alogp	3.737
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	70.67
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.342
chemicalCompound:acdLogP	2.321
chemicalCompound:acdLogD	2.321
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	348.786
chemicalCompound:acdMostBpk...	2.896
chemicalCompound:chemblId	CHEMBL1993413
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1414704
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:9511289, activity:9511790, activity:9512031, activity:9515115, activity:9519351, activity:9519769, activity:9519951, activity:9520667, activity:9524033, activity:9531946, activity:9532766, activity:9532877, activity:9533242, activity:9544548, activity:9544745, activity:9548221, activity:9548264, activity:9560800, activity:9561001, activity:9561362, activity:9569163, activity:9570141, activity:9574742, activity:9577103, activity:9577592, activity:9578141, activity:9578330, activity:9579567, activity:9583613, activity:9584102, activity:9584183, activity:9584772, activity:9586604, activity:9589064, activity:9591960, activity:9593362, activity:9594393, activity:9596298, activity:9597686, activity:9599323, activity:9599891, activity:9601212, activity:9601860, activity:9608214, activity:9609082, activity:9617043, activity:9617318, activity:9618958, activity:9619310, activity:9619893, activity:9620462, activity:9621312, activity:9624364, activity:9625708, activity:9626980, activity:9627356, activity:9627604, activity:9630650, activity:9630865, activity:9630966, activity:9644413, activity:9648311, activity:9649030, activity:9652863, activity:9653489, activity:9657290