218247

Source:http://linkedlifedata.com/resource/chembl/compound/218247

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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/C19H15Cl3N2OS/c20-13-2-3-14-17(8-13)26-18(9-24-6-5-23-11-24)19(14)25-10-12-1-4-15(21)16(22)7-12/h1-8,11,18-19H,9-10H2/t18-,19-/m1/s1
chemicalCompound:standardIn...	RABCTYBZXGVXFS-RTBURBONSA-N
chemicalCompound:canonicalS...	Clc1ccc2[C@@H](OCc3ccc(Cl)c(Cl)c3)[C@@H](Cn4ccnc4)Sc2c1
chemicalCompound:molecularF...	C19 H15 Cl3 N2 O S
chemicalCompound:moleculeId	218247
chemicalCompound:mwFreebase	425.759
chemicalCompound:alogp	5.37
chemicalCompound:hba	3
chemicalCompound:hbd	0
chemicalCompound:psa	52.35
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	5.754
chemicalCompound:acdLogD	5.672
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	425.759
chemicalCompound:acdMostBpk...	6.716
chemicalCompound:chemblId	CHEMBL334947
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:318247
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:646994, activity:646995, activity:646996, activity:646997