1249157

Source:http://linkedlifedata.com/resource/chembl/compound/1249157

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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:358716
chemicalCompound:standardIn...	InChI=1S/C29H28N4O4S.ClH/c1-38(34,35)14-13-30-17-22-15-28(37-19-22)23-7-12-27-26(16-23)29(32-20-31-27)33-24-8-10-25(11-9-24)36-18-21-5-3-2-4-6-21;/h2-12,15-16,19-20,30H,13-14,17-18H2,1H3,(H,31,32,33);1H
chemicalCompound:standardIn...	ZEISXVZSRKYNKM-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.CS(=O)(=O)CCNCc1coc(c1)c2ccc3ncnc(Nc4ccc(OCc5ccccc5)cc4)c3c2
chemicalCompound:molecularF...	C29H29ClN4O4S
chemicalCompound:moleculeId	1249157
chemicalCompound:mwFreebase	528.622
chemicalCompound:alogp	5.093
chemicalCompound:hba	7
chemicalCompound:hbd	2
chemicalCompound:psa	114.73
chemicalCompound:rtb	11
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	5.702
chemicalCompound:acdLogD	5.595
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	565.083
chemicalCompound:acdMostBpk...	6.833
chemicalCompound:chemblId	CHEMBL1909386
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1349157
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:8095004, activity:8095005, activity:8095006, activity:8095007, activity:8095008, activity:8095009, activity:8095010, activity:8095011, activity:8095012, activity:8095013, activity:8095014, activity:8095015, activity:8095016, activity:8095017, activity:8095018, activity:8095019, activity:8095020, activity:8095021, activity:8095022, activity:8095023, activity:8095024, activity:8095025, activity:8095026, activity:8095027, activity:8095028, activity:8095029, activity:8095030, activity:8095031, activity:8095032, activity:8095033, activity:8095034, activity:8095035, activity:8095036, activity:8095037, activity:8095038, activity:8095039, activity:8095040, activity:8095041, activity:8095042, activity:8095043, activity:8095044, activity:8095045, activity:8095046, activity:8095047, activity:8095048, activity:8095049, activity:8095050, activity:8095051, activity:8095052, activity:8095053, activity:8095054, activity:8095055, activity:8095056, activity:8095057, activity:8095058, activity:8095059, activity:8095060, activity:8095061, activity:8095062, activity:8095063, activity:8099042, activity:8099043, activity:8099044, activity:8099045, activity:8099046, activity:8099047