563508

Source:http://linkedlifedata.com/resource/chembl/compound/563508

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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/C14H19N5O5S/c15-7(14(22)23)1-2-25-4-9-10(20)11(21)13(24-9)19-6-18-8-3-16-5-17-12(8)19/h3,5-7,9-11,13,20-21H,1-2,4,15H2,(H,22,23)/t7-,9+,10+,11+,13+/m0/s1
chemicalCompound:standardIn...	PBQISZQQRZEGMN-ARYVQYHZSA-N
chemicalCompound:canonicalS...	N[C@H](CCSC[C@@H]1O[C@H]([C@@H](O)[C@@H]1O)n2cnc3cncnc23)C(=O)O
chemicalCompound:molecularF...	C14H19N5O5S
chemicalCompound:moleculeId	563508
chemicalCompound:mwFreebase	369.396
chemicalCompound:alogp	-4.149
chemicalCompound:hba	10
chemicalCompound:hbd	4
chemicalCompound:psa	181.9
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	2.223
chemicalCompound:acdLogP	-0.79
chemicalCompound:acdLogD	-3.295
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	369.396
chemicalCompound:acdMostBpk...	9.474
chemicalCompound:chemblId	CHEMBL563570
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:663508
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:2676537, activity:2676558