854621

Source:http://linkedlifedata.com/resource/chembl/compound/854621

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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/C16H15ClN2S/c17-12-7-5-11(6-8-12)15-16(20-10-9-18)13-3-1-2-4-14(13)19-15/h1-8,19H,9-10,18H2
chemicalCompound:standardIn...	VDCABYZFTPNRFV-UHFFFAOYSA-N
chemicalCompound:canonicalS...	NCCSc1c([nH]c2ccccc12)c3ccc(Cl)cc3
chemicalCompound:molecularF...	C16H15ClN2S
chemicalCompound:moleculeId	854621
chemicalCompound:mwFreebase	302.822
chemicalCompound:alogp	4.31
chemicalCompound:hba	2
chemicalCompound:hbd	2
chemicalCompound:psa	67.11
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.524
chemicalCompound:acdLogD	1
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	302.822
chemicalCompound:acdMostBpk...	8.817
chemicalCompound:chemblId	CHEMBL1430737
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:954621
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:3743830, activity:3965740, activity:4528741, activity:5860907, activity:6676006, activity:7044735, activity:7104985, activity:7249985, activity:7550804