218931

Source:http://linkedlifedata.com/resource/chembl/compound/218931

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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/C12H11ClN2OS/c13-8-1-2-9-10(5-8)17-11(12(9)16)6-15-4-3-14-7-15/h1-5,7,11-12,16H,6H2
chemicalCompound:standardIn...	DABDTARKKXUQAO-UHFFFAOYSA-N
chemicalCompound:canonicalS...	OC1C(Cn2ccnc2)Sc3cc(Cl)ccc13
chemicalCompound:molecularF...	C12 H11 Cl N2 O S
chemicalCompound:moleculeId	218931
chemicalCompound:mwFreebase	266.747
chemicalCompound:alogp	2.049
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	63.35
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.609
chemicalCompound:acdLogP	2.127
chemicalCompound:acdLogD	2.04
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	266.747
chemicalCompound:acdMostBpk...	6.716
chemicalCompound:chemblId	CHEMBL134235
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:318931
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:639713