200012

Source:http://linkedlifedata.com/resource/chembl/compound/200012

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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/C9H11IN2O/c10-7-3-9(5-11-4-7)13-6-8-1-2-12-8/h3-5,8,12H,1-2,6H2/t8-/m0/s1
chemicalCompound:standardIn...	RKVRGRXOYDTUEY-QMMMGPOBSA-N
chemicalCompound:canonicalS...	Ic1cncc(OC[C@@H]2CCN2)c1
chemicalCompound:molecularF...	C9 H11 I N2 O
chemicalCompound:moleculeId	200012
chemicalCompound:mwFreebase	290.101
chemicalCompound:alogp	0.753
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	34.15
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.184
chemicalCompound:acdLogD	-1.32
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	290.101
chemicalCompound:acdMostBpk...	10.048
chemicalCompound:chemblId	CHEMBL123433
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:300012
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:83927, activity:3718424, activity:4018416, activity:4663526, activity:4990117, activity:5016905, activity:5029236, activity:5867334, activity:5994481, activity:6007923, activity:6024024, activity:6049802, activity:6065199, activity:7562823