287797

Source:http://linkedlifedata.com/resource/chembl/compound/287797

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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/C14H11ClN2OS/c1-17-11-5-4-9(15)7-10(11)14(16-8-13(17)18)12-3-2-6-19-12/h2-7H,8H2,1H3
chemicalCompound:standardIn...	RJNFLJNUEOERRU-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN1C(=O)CN=C(c2cccs2)c3cc(Cl)ccc13
chemicalCompound:molecularF...	C14 H11 Cl N2 O S
chemicalCompound:moleculeId	287797
chemicalCompound:mwFreebase	290.768
chemicalCompound:alogp	3.124
chemicalCompound:hba	2
chemicalCompound:hbd	0
chemicalCompound:psa	60.91
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.305
chemicalCompound:acdLogD	2.305
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	290.768
chemicalCompound:acdMostBpk...	2.963
chemicalCompound:chemblId	CHEMBL173339
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:387797
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:630918, activity:630919, activity:630920, activity:630921, activity:630922, activity:630923