1093573

Source:http://linkedlifedata.com/resource/chembl/compound/1093573

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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:396101
chemicalCompound:standardIn...	InChI=1S/C19H22N2S.C2H4O2/c1-20-12-6-7-15(13-20)14-21-16-8-2-4-10-18(16)22-19-11-5-3-9-17(19)21;1-2(3)4/h2-5,8-11,15H,6-7,12-14H2,1H3;1H3,(H,3,4)
chemicalCompound:standardIn...	COBIOCPXKOZHSU-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN1CCCC(CN2c3ccccc3Sc4ccccc24)C1.CC(=O)O
chemicalCompound:molecularF...	C21H26N2O2S
chemicalCompound:moleculeId	1093573
chemicalCompound:mwFreebase	310.456
chemicalCompound:alogp	4.568
chemicalCompound:hba	3
chemicalCompound:hbd	0
chemicalCompound:psa	31.78
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	5.041
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	370.508
chemicalCompound:acdMostBpk...	9.421
chemicalCompound:chemblId	CHEMBL1712842
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1193573
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:5503834, activity:5605567, activity:6691328, activity:6748030, activity:7014096, activity:7028771, activity:7105109, activity:7220979