1120690

Source:http://linkedlifedata.com/resource/chembl/compound/1120690

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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:13355
chemicalCompound:standardIn...	InChI=1S/C3H4N2O3S.C3H4N2/c6-9(7,8)5-2-1-4-3-5;1-2-5-3-4-1/h1-3H,(H,6,7,8);1-3H,(H,4,5)
chemicalCompound:standardIn...	QWURXWCYNQFMQU-UHFFFAOYSA-N
chemicalCompound:canonicalS...	OS(=O)(=O)n1ccnc1.c2c[nH]cn2
chemicalCompound:molecularF...	C6H8N4O3S
chemicalCompound:moleculeId	1120690
chemicalCompound:mwFreebase	68.0773
chemicalCompound:alogp	-0.283
chemicalCompound:hba	1
chemicalCompound:hbd	1
chemicalCompound:psa	28.68
chemicalCompound:rtb	0
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.89
chemicalCompound:acdLogP	-0.099
chemicalCompound:acdLogD	-0.441
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	216.218
chemicalCompound:acdMostBpk...	7.18
chemicalCompound:chemblId	CHEMBL1741804
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1220690
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:5994974, activity:6028956, activity:6048831, activity:6049591, activity:6056201, activity:8290722, activity:8296521, activity:8342379, activity:8370498, activity:8407684, activity:8450000, activity:8491917, activity:8538810, activity:8554706, activity:8604079, activity:8615381, activity:8674291, activity:8698135, activity:8754139, activity:8791561, activity:8824193, activity:8933495, activity:8935963, activity:8969913, activity:9003295, activity:9032533, activity:9071378, activity:9087084, activity:9129281, activity:9220970, activity:9250987, activity:9258062, activity:9322126, activity:9387257, activity:9394004, activity:9466530, activity:9473223, activity:9510222, activity:9642327, activity:9752839, activity:9814259, activity:9862337, activity:9903673, activity:9966637, activity:9979798, activity:9999362, activity:10103733, activity:10142658, activity:10144837, activity:10182354, activity:10220186, activity:10281876, activity:10309882, activity:10343525, activity:10367062, activity:10462821, activity:10482882, activity:10534630, activity:10631540, activity:10712073, activity:10736745, activity:10763871, activity:10804695