117402

Source:http://linkedlifedata.com/resource/chembl/compound/117402

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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:653318
chemicalCompound:standardIn...	InChI=1S/C14H23N3OS.C4H4O4/c1-4-6-11(2)10-18-14-13(15-19-16-14)12-7-5-8-17(3)9-12;5-3(6)1-2-4(7)8/h7,11H,4-6,8-10H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
chemicalCompound:standardIn...	BYTFFEIXLYTMEF-WLHGVMLRSA-N
chemicalCompound:canonicalS...	CCCC(C)COc1nsnc1C2=CCCN(C)C2.OC(=O)\C=C\C(=O)O
chemicalCompound:molecularF...	C14 H23 N3 O S . C4 H4 O4
chemicalCompound:moleculeId	117402
chemicalCompound:mwFreebase	281.417
chemicalCompound:alogp	3.824
chemicalCompound:hba	4
chemicalCompound:hbd	0
chemicalCompound:psa	66.48
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.851
chemicalCompound:acdLogD	3.58
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	397.489
chemicalCompound:acdMostBpk...	7.336
chemicalCompound:chemblId	CHEMBL72430
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:217402
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:432443, activity:432444, activity:432445, activity:432446, activity:432447