1307747

Source:http://linkedlifedata.com/resource/chembl/compound/1307747

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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/C22H19N3O3S/c1-27-13-7-8-19(28-2)16(11-13)20-18(25-9-10-29-22(25)24-20)12-15-14-5-3-4-6-17(14)23-21(15)26/h3-8,11-12H,9-10H2,1-2H3,(H,23,26)/b15-12+
chemicalCompound:standardIn...	KLSFQANGDMDDCW-NTCAYCPXSA-N
chemicalCompound:canonicalS...	COc1ccc(OC)c(c1)c2nc3SCCn3c2\C=C/4\C(=O)Nc5ccccc45
chemicalCompound:molecularF...	C22H19N3O3S
chemicalCompound:moleculeId	1307747
chemicalCompound:mwFreebase	405.47
chemicalCompound:alogp	3.931
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	90.68
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.607
chemicalCompound:acdLogP	3.204
chemicalCompound:acdLogD	3.204
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	405.47
chemicalCompound:acdMostBpk...	2.839
chemicalCompound:chemblId	CHEMBL1986456
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1407747
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:8278774, activity:8294004, activity:8348240, activity:8363454, activity:8378017, activity:8402574, activity:8464374, activity:8484258, activity:8553536, activity:8569156, activity:8645723, activity:8659743, activity:8701357, activity:8745743, activity:8748305, activity:8838705, activity:8849867, activity:8880855, activity:8901409, activity:8944618, activity:9049126, activity:9052614, activity:9145587, activity:9147777, activity:9161422, activity:9265429, activity:9280676, activity:9334125, activity:9341670, activity:9414899, activity:9486932, activity:9498068, activity:9571414, activity:9670420, activity:9760179, activity:9770673, activity:9865529, activity:9906947, activity:9941265, activity:9969635, activity:10011308, activity:10022653, activity:10059170, activity:10135311, activity:10150111, activity:10190838, activity:10223427, activity:10259113, activity:10300160, activity:10346406, activity:10416974, activity:10457575, activity:10471813, activity:10569743, activity:10645760, activity:10664780, activity:10677979, activity:10698218, activity:10771235