439812

Source:http://linkedlifedata.com/resource/chembl/compound/439812

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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/C19H22N4O4S2/c1-22(2)29(24,25)17-12-16(27-4)15(26-3)10-13(17)11-18-20-21-19(28)23(18)14-8-6-5-7-9-14/h5-10,12H,11H2,1-4H3,(H,21,28)
chemicalCompound:standardIn...	OTZGMMXRSFNJRQ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1cc(CC2=NNC(=S)N2c3ccccc3)c(cc1OC)S(=O)(=O)N(C)C
chemicalCompound:molecularF...	C19 H22 N4 O4 S2
chemicalCompound:moleculeId	439812
chemicalCompound:mwFreebase	434.532
chemicalCompound:alogp	2.797
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	123.93
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	5.466
chemicalCompound:acdLogP	0.209
chemicalCompound:acdLogD	-1.461
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	434.532
chemicalCompound:chemblId	CHEMBL260310
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:539812
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:2091779, activity:2091780, activity:2091781, activity:2091782, activity:2091783, activity:2091784, activity:2091785, activity:2091786, activity:2091787, activity:2091788, activity:2091789, activity:2091790, activity:2091791, activity:2091792, activity:2091935, activity:2091936, activity:2091938, activity:2091940, activity:2091941, activity:2091963, activity:2092007, activity:2092008, activity:2092009, activity:2092032, activity:2092055, activity:2092056, activity:2092079