198151

Source:http://linkedlifedata.com/resource/chembl/compound/198151

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:198151_NSC-677468_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C14H24N2S2/c1-11(2,9-15)13(5,6)17-18-14(7,8)12(3,4)10-16/h1-8H3
chemicalCompound:standardIn...	PCLFJJUACOKHPP-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)(SSC(C)(C)C(C)(C)C#N)C(C)(C)C#N
chemicalCompound:molecularF...	C14 H24 N2 S2
chemicalCompound:moleculeId	198151
chemicalCompound:mwFreebase	284.484
chemicalCompound:alogp	4.267
chemicalCompound:hba	4
chemicalCompound:hbd	0
chemicalCompound:psa	98.18
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.353
chemicalCompound:acdLogD	4.353
chemicalCompound:fullMwt	284.484
chemicalCompound:chemblId	CHEMBL120120
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:298151
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:672212, activity:672213