329735

Source:http://linkedlifedata.com/resource/chembl/compound/329735

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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/C10H11IN4O3/c11-4-1-15(10-7(17)5(16)2-18-10)9-6(4)8(12)13-3-14-9/h1,3,5,7,10,16-17H,2H2,(H2,12,13,14)/t5-,7-,10-/m1/s1
chemicalCompound:standardIn...	FCQRSIRQJDJDTD-VISXPRAWSA-N
chemicalCompound:canonicalS...	Nc1ncnc2c1c(I)cn2[C@@H]3OC[C@@H](O)[C@H]3O
chemicalCompound:molecularF...	C10 H11 I N4 O3
chemicalCompound:moleculeId	329735
chemicalCompound:mwFreebase	362.124
chemicalCompound:alogp	-0.014
chemicalCompound:hba	6
chemicalCompound:hbd	3
chemicalCompound:psa	106.42
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.487
chemicalCompound:acdLogP	0.798
chemicalCompound:acdLogD	0.797
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	362.124
chemicalCompound:acdMostBpk...	4.702
chemicalCompound:chemblId	CHEMBL194952
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:429735
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:1612803