162122

Source:http://linkedlifedata.com/resource/chembl/compound/162122

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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/C13H14Cl2N2S/c1-2-6-17-11-8(7-16-17)4-3-5-9-10(11)13(15)18-12(9)14/h7H,2-6H2,1H3
chemicalCompound:standardIn...	AUVDDIGUWXARSE-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCn1ncc2CCCc3c(Cl)sc(Cl)c3c12
chemicalCompound:molecularF...	C13 H14 Cl2 N2 S
chemicalCompound:moleculeId	162122
chemicalCompound:mwFreebase	301.235
chemicalCompound:alogp	4.799
chemicalCompound:hba	1
chemicalCompound:hbd	0
chemicalCompound:psa	46.05
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.879
chemicalCompound:acdLogD	4.879
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	301.235
chemicalCompound:acdMostBpk...	1.301
chemicalCompound:chemblId	CHEMBL99085
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:262122
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:446371, activity:446372