425799

Source:http://linkedlifedata.com/resource/chembl/compound/425799

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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/C15H24N2OS/c1-5-17(6-2)14(18)15(12-7-8-19-11-12)9-13(15)10-16(3)4/h7-8,11,13H,5-6,9-10H2,1-4H3/t13-,15+/m0/s1
chemicalCompound:standardIn...	SFBSHUOIEODSEA-DZGCQCFKSA-N
chemicalCompound:canonicalS...	CCN(CC)C(=O)[C@]1(C[C@H]1CN(C)C)c2ccsc2
chemicalCompound:molecularF...	C15 H24 N2 O S
chemicalCompound:moleculeId	425799
chemicalCompound:mwFreebase	280.429
chemicalCompound:alogp	1.917
chemicalCompound:hba	2
chemicalCompound:hbd	0
chemicalCompound:psa	51.79
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1
chemicalCompound:acdLogD	-1.26
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	280.429
chemicalCompound:acdMostBpk...	9.671
chemicalCompound:chemblId	CHEMBL403759
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:525799
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:2170776, activity:2170809, activity:2170842