115505

Source:http://linkedlifedata.com/resource/chembl/compound/115505

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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/C11H10IN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-4H,5-6H2,(H2,15,16,17)
chemicalCompound:standardIn...	YYTGOWDNUUXBGS-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Ic1c(NC2=NCCN2)ccc3nccnc13
chemicalCompound:molecularF...	C11 H10 I N5
chemicalCompound:moleculeId	115505
chemicalCompound:mwFreebase	339.135
chemicalCompound:alogp	1.067
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	62.2
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.645
chemicalCompound:acdLogD	1.074
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	339.135
chemicalCompound:acdMostBpk...	7.742
chemicalCompound:chemblId	CHEMBL70676
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:215505
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:1255076, activity:1255077, activity:1255078, activity:1255079, activity:1255080, activity:1255081, activity:1255082, activity:1255083, activity:1255084, activity:1255085, activity:1255086, activity:1255087