363613

Source:http://linkedlifedata.com/resource/chembl/compound/363613

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:363613_ADS-102550_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C18H18N4O4S/c23-18(21-24)17-4-3-16(27-17)13-5-7-22(20-13)8-6-19-10-12-1-2-14-15(9-12)26-11-25-14/h1-5,7,9,19,24H,6,8,10-11H2,(H,21,23)
chemicalCompound:standardIn...	CCCCPSHFLXQUBH-UHFFFAOYSA-N
chemicalCompound:canonicalS...	ONC(=O)c1ccc(s1)c2ccn(CCNCc3ccc4OCOc4c3)n2
chemicalCompound:molecularF...	C18 H18 N4 O4 S
chemicalCompound:moleculeId	363613
chemicalCompound:mwFreebase	386.425
chemicalCompound:alogp	2.64
chemicalCompound:hba	6
chemicalCompound:hbd	3
chemicalCompound:psa	125.88
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.543
chemicalCompound:acdLogP	0.913
chemicalCompound:acdLogD	-0.059
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	386.425
chemicalCompound:acdMostBpk...	8.474
chemicalCompound:chemblId	CHEMBL217716
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:463613
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:1792526, activity:1792542, activity:1792544, activity:1792546, activity:1792548, activity:1792550, activity:1792552, activity:1792554, activity:1792556, activity:1792558, activity:1792560, activity:1792562, activity:1792564, activity:1792575, activity:1792591, activity:1792593, activity:1792604, activity:1792665, activity:1792668, activity:1792671, activity:1792692, activity:1792711, activity:1792714, activity:1792717, activity:1792720, activity:1792723, activity:1792726, activity:1792729, activity:1792732, activity:1792735, activity:1792738, activity:1792741, activity:1792744, activity:1792747, activity:1792750, activity:1792753, activity:1792772, activity:1792791, activity:1792817, activity:1792822, activity:1792825, activity:1792828, activity:1792831, activity:2105884, activity:2105898, activity:2105912, activity:2106063