921174

Source:http://linkedlifedata.com/resource/chembl/compound/921174

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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/C15H13ClN4O3/c1-23-15(22)20-17-9-10-8-11(6-7-14(10)21)18-19-13-5-3-2-4-12(13)16/h2-9,21H,1H3,(H,20,22)
chemicalCompound:standardIn...	RZNFYNKPFDRLLU-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COC(=O)NN=Cc1cc(ccc1O)N=Nc2ccccc2Cl
chemicalCompound:molecularF...	C15H13ClN4O3
chemicalCompound:moleculeId	921174
chemicalCompound:mwFreebase	332.742
chemicalCompound:alogp	4.454
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	95.64
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	7.996
chemicalCompound:acdLogP	3.716
chemicalCompound:acdLogD	3.468
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	332.742
chemicalCompound:chemblId	CHEMBL1497290
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1021174
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:3657768, activity:3804530, activity:3834362, activity:3922492, activity:3956128, activity:3996274, activity:4011134, activity:4082872, activity:4717951, activity:4736092, activity:4769486, activity:4914713, activity:4986597, activity:5357362, activity:5393579, activity:5409886, activity:5573169, activity:5583016, activity:5790675, activity:5869934, activity:6551893, activity:7062021, activity:7184259, activity:7388355