213531

Source:http://linkedlifedata.com/resource/chembl/compound/213531

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C12H12N4O3S4/c1-6-14-15-10(21-6)7-2-4-8(5-3-7)23(18,19)16-11-9(17)13-12(20)22-11/h2-6,10-11,16H,1H3,(H,13,17,20)
chemicalCompound:standardIn...	ZXILJSFDVXHSSD-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC1SC(N=N1)c2ccc(cc2)S(=O)(=O)NC3SC(=S)NC3=O
chemicalCompound:molecularF...	C12 H12 N4 O3 S4
chemicalCompound:moleculeId	213531
chemicalCompound:mwFreebase	388.509
chemicalCompound:alogp	3.514
chemicalCompound:hba	8
chemicalCompound:hbd	2
chemicalCompound:psa	191.05
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	3.718
chemicalCompound:acdLogP	3.37
chemicalCompound:acdLogD	0.77
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	388.509
chemicalCompound:chemblId	CHEMBL339572
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:313531
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:900283, activity:900284