1250174

Source:http://linkedlifedata.com/resource/chembl/compound/1250174

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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/C16H11ClN2O2/c17-10-6-7-12-13(9-18-14(12)8-10)15(20)16(21)19-11-4-2-1-3-5-11/h1-9,18H,(H,19,21)
chemicalCompound:standardIn...	CTCGYBNNTCNHNN-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Clc1ccc2c(c[nH]c2c1)C(=O)C(=O)Nc3ccccc3
chemicalCompound:molecularF...	C16H11ClN2O2
chemicalCompound:moleculeId	1250174
chemicalCompound:mwFreebase	298.724
chemicalCompound:alogp	3.458
chemicalCompound:hba	2
chemicalCompound:hbd	2
chemicalCompound:psa	61.96
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.686
chemicalCompound:acdLogP	3.786
chemicalCompound:acdLogD	3.786
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	298.724
chemicalCompound:acdMostBpk...	0.151
chemicalCompound:chemblId	CHEMBL1910579
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1350174
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:7854468, activity:7855420, activity:7855476, activity:7855522