198659

Source:http://linkedlifedata.com/resource/chembl/compound/198659

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:198659_NSC-39620_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C18H20N2O4S2/c1-11-5-7-13(23-17(21)19-3)15(9-11)25-26-16-10-12(2)6-8-14(16)24-18(22)20-4/h5-10H,1-4H3,(H,19,21)(H,20,22)
chemicalCompound:standardIn...	AIABPWSJRRSJQJ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CNC(=O)Oc1ccc(C)cc1SSc2cc(C)ccc2OC(=O)NC
chemicalCompound:molecularF...	C18 H20 N2 O4 S2
chemicalCompound:moleculeId	198659
chemicalCompound:mwFreebase	392.492
chemicalCompound:alogp	5.038
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	127.26
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.726
chemicalCompound:acdLogP	3
chemicalCompound:acdLogD	3
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	392.492
chemicalCompound:chemblId	CHEMBL331541
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:298659
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:678767, activity:678768