492926

Source:http://linkedlifedata.com/resource/chembl/compound/492926

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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/C22H24N6O2S/c1-12-9-13(2)26-27-19(12)23-14-5-6-17-16(10-14)28(7-8-30-17)21-24-15-11-22(3,4)25-20(29)18(15)31-21/h5-6,9-10H,7-8,11H2,1-4H3,(H,23,27)(H,25,29)
chemicalCompound:standardIn...	BMZAQBGIVVRCCG-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1cc(C)c(Nc2ccc3OCCN(c3c2)c4nc5CC(C)(C)NC(=O)c5s4)nn1
chemicalCompound:molecularF...	C22H24N6O2S
chemicalCompound:moleculeId	492926
chemicalCompound:mwFreebase	436.53
chemicalCompound:alogp	3.287
chemicalCompound:hba	7
chemicalCompound:hbd	2
chemicalCompound:psa	120.51
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.59
chemicalCompound:acdLogP	1.878
chemicalCompound:acdLogD	1.867
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	436.53
chemicalCompound:acdMostBpk...	5.748
chemicalCompound:chemblId	CHEMBL491641
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:592926
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:2260702, activity:2260703, activity:2260704, activity:2260705, activity:2260706, activity:2260707, activity:2260708, activity:2260709