1291433

Source:http://linkedlifedata.com/resource/chembl/compound/1291433

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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/C28H27N7O2S/c1-16-4-8-20(9-5-16)33-28(37)34-21-10-6-18(7-11-21)23-15-38-25-22(13-31-26(29)24(23)25)19-12-32-35(14-19)17(2)27(36)30-3/h4-15,17H,1-3H3,(H2,29,31)(H,30,36)(H2,33,34,37)
chemicalCompound:standardIn...	RBXYGQNZRVPDNB-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CNC(=O)C(C)n1cc(cn1)c2cnc(N)c3c(csc23)c4ccc(NC(=O)Nc5ccc(C)cc5)cc4
chemicalCompound:molecularF...	C28H27N7O2S
chemicalCompound:moleculeId	1291433
chemicalCompound:mwFreebase	525.625
chemicalCompound:alogp	3.743
chemicalCompound:hba	5
chemicalCompound:hbd	4
chemicalCompound:psa	155.2
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.361
chemicalCompound:acdLogD	4.351
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	525.625
chemicalCompound:acdMostBpk...	5.742
chemicalCompound:chemblId	CHEMBL1970142
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1391433
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:9507448, activity:9519368, activity:9519969, activity:9520189, activity:9520458, activity:9520680, activity:9523714, activity:9524046, activity:9528951, activity:9532555, activity:9532780, activity:9532892, activity:9533255, activity:9535951, activity:9536208, activity:9536471, activity:9544763, activity:9545011, activity:9545345, activity:9549301, activity:9552130, activity:9552704, activity:9557254, activity:9557643, activity:9557785, activity:9560808, activity:9561015, activity:9565285, activity:9568755, activity:9570157, activity:9570272, activity:9572128, activity:9573420, activity:9574758, activity:9574858, activity:9575127, activity:9575485, activity:9576138, activity:9576491, activity:9577111, activity:9578156, activity:9578346, activity:9579582, activity:9581644, activity:9582680, activity:9583080, activity:9583628, activity:9584118, activity:9584499, activity:9584871, activity:9586620, activity:9587473, activity:9589078, activity:9589968, activity:9593379, activity:9593471, activity:9594408, activity:9594730, activity:9595193, activity:9595991, activity:9596312, activity:9597640, activity:9597702, activity:9599340, activity:9599898, activity:9600509, activity:9601227