882103

Source:http://linkedlifedata.com/resource/chembl/compound/882103

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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/C18H14ClN3O3/c1-11-9-13(12-5-2-3-6-14(12)21-11)18(24)25-10-16(23)22-15-7-4-8-20-17(15)19/h2-9H,10H2,1H3,(H,22,23)
chemicalCompound:standardIn...	QNMVKOHTSHFAEU-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1cc(C(=O)OCC(=O)Nc2cccnc2Cl)c3ccccc3n1
chemicalCompound:molecularF...	C18H14ClN3O3
chemicalCompound:moleculeId	882103
chemicalCompound:mwFreebase	355.775
chemicalCompound:alogp	2.513
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	81.18
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.469
chemicalCompound:acdLogP	3.014
chemicalCompound:acdLogD	3.014
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	355.775
chemicalCompound:acdMostBpk...	3.293
chemicalCompound:chemblId	CHEMBL1458219
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:982103
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:3621523, activity:3715161, activity:4210896, activity:5580598, activity:6764036