831915

Source:http://linkedlifedata.com/resource/chembl/compound/831915

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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/C15H9N3O5/c19-11-5-9(7-3-1-2-4-8(7)13(11)21)16-15-17-10(14(22)23)6-12(20)18-15/h1-6H,(H,22,23)(H2,16,17,18,20)
chemicalCompound:standardIn...	BCRIVNNGVIEOOU-UHFFFAOYSA-N
chemicalCompound:canonicalS...	OC(=O)c1cc(O)nc(NC2=CC(=O)C(=O)c3ccccc23)n1
chemicalCompound:molecularF...	C15H9N3O5
chemicalCompound:moleculeId	831915
chemicalCompound:mwFreebase	311.249
chemicalCompound:alogp	1.463
chemicalCompound:hba	8
chemicalCompound:hbd	3
chemicalCompound:psa	129.48
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	0.308
chemicalCompound:acdLogP	0.72
chemicalCompound:acdLogD	-2.748
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	311.249
chemicalCompound:acdMostBpk...	10.082
chemicalCompound:chemblId	CHEMBL1408031
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:931915
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:4020140, activity:5999272, activity:6009977, activity:6017225, activity:6025435, activity:6046316, activity:8231030, activity:8259154, activity:8308730, activity:8319465, activity:8413861, activity:8482590, activity:8506794, activity:8520273, activity:8581329, activity:8597001, activity:8652678, activity:8662423, activity:8669211, activity:8773155, activity:8784426, activity:8805408, activity:8812240, activity:8908429, activity:8937913, activity:8976205, activity:9026116, activity:9076976, activity:9086571, activity:9102277, activity:9193302, activity:9228538, activity:9230846, activity:9294882, activity:9371409, activity:9435186, activity:9448341, activity:9450943, activity:9543021, activity:9692008, activity:9725649, activity:9767979, activity:9796469, activity:9872366, activity:9901369, activity:9939418, activity:9972726, activity:9989904, activity:10005403, activity:10085735, activity:10175276, activity:10177171, activity:10193129, activity:10204642, activity:10307366, activity:10335899, activity:10382081, activity:10424083, activity:10451567, activity:10503379, activity:10600146, activity:10611878, activity:10617980, activity:10709564, activity:10786971, activity:10802451