294309

Source:http://linkedlifedata.com/resource/chembl/compound/294309

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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/C24H29N5O5S/c1-34-24(31)19(27-22(30)17(26)9-6-7-13-25)14-16-15-8-2-3-10-18(15)28-23(16)35-21-12-5-4-11-20(21)29(32)33/h2-5,8,10-12,17,19,28H,6-7,9,13-14,25-26H2,1H3,(H,27,30)/t17-,19-/m0/s1
chemicalCompound:standardIn...	OXBQOLKKTGIDKA-HKUYNNGSSA-N
chemicalCompound:canonicalS...	COC(=O)[C@H](Cc1c(Sc2ccccc2[N+](=O)[O-])[nH]c3ccccc13)NC(=O)[C@@H](N)CCCCN
chemicalCompound:molecularF...	C24 H29 N5 O5 S
chemicalCompound:moleculeId	294309
chemicalCompound:mwFreebase	499.583
chemicalCompound:alogp	2.995
chemicalCompound:hba	8
chemicalCompound:hbd	4
chemicalCompound:psa	194.35
chemicalCompound:rtb	13
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	13.437
chemicalCompound:acdLogP	2.985
chemicalCompound:acdLogD	0
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	499.583
chemicalCompound:acdMostBpk...	10.47
chemicalCompound:chemblId	CHEMBL178014
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:394309
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:1265864, activity:1265865, activity:1265866, activity:1265867, activity:1265868, activity:1265869, activity:1265870, activity:1265871, activity:1265872