728737

Source:http://linkedlifedata.com/resource/chembl/compound/728737

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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:1039185
chemicalCompound:standardIn...	InChI=1S/C17H24N4O2S.C2H2O4/c1-14-3-5-15(6-4-14)23-13-16-18-19-17(20(16)2)24-12-9-21-7-10-22-11-8-21;3-1(4)2(5)6/h3-6H,7-13H2,1-2H3;(H,3,4)(H,5,6)
chemicalCompound:standardIn...	XFRWTVYNCXXDDH-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1ccc(OCc2nnc(SCCN3CCOCC3)n2C)cc1.OC(=O)C(=O)O
chemicalCompound:molecularF...	C19H26N4O6S
chemicalCompound:moleculeId	728737
chemicalCompound:mwFreebase	348.463
chemicalCompound:alogp	2.556
chemicalCompound:hba	6
chemicalCompound:hbd	0
chemicalCompound:psa	77.7
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	0
chemicalCompound:acdLogD	-0.028
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	438.498
chemicalCompound:acdMostBpk...	6.223
chemicalCompound:chemblId	CHEMBL1304853
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:828737
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:3727787, activity:4317212, activity:4611333, activity:4675966, activity:5376066, activity:5747455, activity:5832461, activity:6714481, activity:6784843