979599

Source:http://linkedlifedata.com/resource/chembl/compound/979599

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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/C21H30N4O2S/c1-13-14(2)28-20-18(13)19(26)23-17(24-20)12-25(16-10-6-7-11-16)21(27)22-15-8-4-3-5-9-15/h15-16H,3-12H2,1-2H3,(H,22,27)(H,23,24,26)
chemicalCompound:standardIn...	FEBDZBPQEBMHNO-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1sc2nc(CN(C3CCCC3)C(=O)NC4CCCCC4)nc(O)c2c1C
chemicalCompound:molecularF...	C21H30N4O2S
chemicalCompound:moleculeId	979599
chemicalCompound:mwFreebase	402.553
chemicalCompound:alogp	4.518
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	106.58
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	0.715
chemicalCompound:acdLogP	3.662
chemicalCompound:acdLogD	1.153
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	402.553
chemicalCompound:acdMostBpk...	9.151
chemicalCompound:chemblId	CHEMBL1555715
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1079599
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:3616463, activity:3910529, activity:4069787, activity:4324454, activity:4393634, activity:4414259, activity:4785636, activity:4912562, activity:5581354, activity:5883700, activity:6593261, activity:7143845