1015415

Source:http://linkedlifedata.com/resource/chembl/compound/1015415

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:213
chemicalCompound:standardIn...	InChI=1S/C25H23N5O2S.CH4O3S/c1-29-13-17(15-7-2-4-9-19(15)29)21-22(24(32)28-23(21)31)18-14-30(11-6-12-33-25(26)27)20-10-5-3-8-16(18)20;1-5(2,3)4/h2-5,7-10,13-14H,6,11-12H2,1H3,(H3,26,27)(H,28,31,32);1H3,(H,2,3,4)
chemicalCompound:standardIn...	SAWVGDJBSPLRRB-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cn1cc(C2=C(C(=O)NC2=O)c3cn(CCCSC(=N)N)c4ccccc34)c5ccccc15.CS(=O)(=O)O
chemicalCompound:molecularF...	C26H27N5O5S2
chemicalCompound:moleculeId	1015415
chemicalCompound:mwFreebase	457.547
chemicalCompound:alogp	3.866
chemicalCompound:hba	4
chemicalCompound:hbd	3
chemicalCompound:psa	131.19
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	7.904
chemicalCompound:acdLogP	6.098
chemicalCompound:acdLogD	4.772
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	553.653
chemicalCompound:acdMostBpk...	8.671
chemicalCompound:chemblId	CHEMBL1591531
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1115415
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:3629669, activity:3696620, activity:3780433, activity:3881162, activity:3916810, activity:3930841, activity:3960183, activity:4000616, activity:4064991, activity:4110853, activity:4379073, activity:4465860, activity:4497228, activity:4526633, activity:4547187, activity:4568006, activity:4582353, activity:4634610, activity:4713698, activity:4723174, activity:4862292, activity:4862813, activity:4865646, activity:4959168, activity:4989899, activity:5058860, activity:5333196, activity:5978318