700490

Source:http://linkedlifedata.com/resource/chembl/compound/700490

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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/C10H7ClN2O2S/c11-8-5-12-10(16-8)13-9(15)6-3-1-2-4-7(6)14/h1-5,14H,(H,12,13,15)
chemicalCompound:standardIn...	JQUDKSXFZCWBTC-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Oc1ccccc1C(=O)Nc2ncc(Cl)s2
chemicalCompound:molecularF...	C10H7ClN2O2S
chemicalCompound:moleculeId	700490
chemicalCompound:mwFreebase	254.693
chemicalCompound:alogp	1.828
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	90.46
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	6.949
chemicalCompound:acdLogP	4.106
chemicalCompound:acdLogD	3.379
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	254.693
chemicalCompound:acdMostBpk...	0.602
chemicalCompound:chemblId	CHEMBL1241273
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:800490
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:3454880, activity:3454920, activity:3454956, activity:3454979, activity:6273256, activity:6273874, activity:6273899, activity:6273924, activity:6273942, activity:6273958, activity:6273968, activity:8005739, activity:8006487, activity:8006521