28

Source:http://linkedlifedata.com/resource/chembl/compound/28

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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/C16H11Cl2N3O3/c17-10-3-1-9(2-4-10)15(23)12-6-5-11(7-13(12)18)21-16(24)20-14(22)8-19-21/h1-8,15,23H,(H,20,22,24)
chemicalCompound:standardIn...	PDYOESYMTUGYJT-UHFFFAOYSA-N
chemicalCompound:canonicalS...	OC(c1ccc(Cl)cc1)c2ccc(cc2Cl)N3N=CC(=O)NC3=O
chemicalCompound:molecularF...	C16 H11 Cl2 N3 O3
chemicalCompound:moleculeId	28
chemicalCompound:mwFreebase	364.183
chemicalCompound:alogp	3.126
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	82
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	6.225
chemicalCompound:acdLogP	3.001
chemicalCompound:acdLogD	1.873
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	364.183
chemicalCompound:chemblId	CHEMBL6230
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100028
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:198405, activity:939790, activity:981440, activity:1244536