751496

Source:http://linkedlifedata.com/resource/chembl/compound/751496

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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/C13H11N3O6/c1-22-9-4-2-3-7(11(9)17)5-6-8-10(16(20)21)12(18)15-13(19)14-8/h2-6,17H,1H3,(H2,14,15,18,19)/b6-5+
chemicalCompound:standardIn...	WHTWQZXNVNSSCA-AATRIKPKSA-N
chemicalCompound:canonicalS...	COc1cccc(\C=C\c2nc(O)nc(O)c2[N+](=O)[O-])c1O
chemicalCompound:molecularF...	C13H11N3O6
chemicalCompound:moleculeId	751496
chemicalCompound:mwFreebase	305.243
chemicalCompound:alogp	2.678
chemicalCompound:hba	8
chemicalCompound:hbd	3
chemicalCompound:psa	141.51
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	-1.966
chemicalCompound:acdLogP	1.589
chemicalCompound:acdLogD	-1.933
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	305.243
chemicalCompound:acdMostBpk...	10.712
chemicalCompound:chemblId	CHEMBL1327612
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:851496
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:4314311, activity:4902749, activity:5048014, activity:5503712, activity:5733851, activity:6444652, activity:6918180, activity:6967037, activity:7018521, activity:7390869, activity:9804212, activity:10446282, activity:10642662