979483

Source:http://linkedlifedata.com/resource/chembl/compound/979483

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:1047177
chemicalCompound:standardIn...	InChI=1S/C14H16ClN3O2S.ClH/c1-8(2)12(16)13-17-18-14(20-13)21-7-11(19)9-3-5-10(15)6-4-9;/h3-6,8,12H,7,16H2,1-2H3;1H/t12-;/m0./s1
chemicalCompound:standardIn...	HGLYQTJVCJOMSE-YDALLXLXSA-N
chemicalCompound:canonicalS...	Cl.CC(C)[C@H](N)c1oc(SCC(=O)c2ccc(Cl)cc2)nn1
chemicalCompound:molecularF...	C14H17Cl2N3O2S
chemicalCompound:moleculeId	979483
chemicalCompound:mwFreebase	325.814
chemicalCompound:alogp	2.834
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	107.31
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.947
chemicalCompound:acdLogD	1.899
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	362.275
chemicalCompound:acdMostBpk...	6.466
chemicalCompound:chemblId	CHEMBL1555599
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1079483
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:4468978, activity:5420515, activity:5509624, activity:5527522, activity:5538474, activity:6748703