999518

Source:http://linkedlifedata.com/resource/chembl/compound/999518

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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/C16H14ClN3O2S/c1-10-3-2-4-12(9-10)14(21)18-16(23)20-19-15(22)11-5-7-13(17)8-6-11/h2-9H,1H3,(H,19,22)(H2,18,20,21,23)
chemicalCompound:standardIn...	ONQJIKRHRHYBER-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1cccc(c1)C(=O)NC(=S)NNC(=O)c2ccc(Cl)cc2
chemicalCompound:molecularF...	C16H14ClN3O2S
chemicalCompound:moleculeId	999518
chemicalCompound:mwFreebase	347.819
chemicalCompound:alogp	3.824
chemicalCompound:hba	3
chemicalCompound:hbd	3
chemicalCompound:psa	102.32
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	7.665
chemicalCompound:acdLogP	3.582
chemicalCompound:acdLogD	3.387
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	347.819
chemicalCompound:chemblId	CHEMBL1575634
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1099518
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:3621609, activity:3635315, activity:3715237, activity:3739000, activity:3766403, activity:3870037, activity:3987167, activity:4070010, activity:4118240, activity:4434215, activity:4588316, activity:4717974, activity:4718312, activity:4789742, activity:4921682, activity:5433569, activity:5582672, activity:5697848, activity:5893063, activity:5972254, activity:6567327, activity:6771671, activity:6834752, activity:7052756, activity:7279809, activity:7334131, activity:7516131, activity:10050425