1274007

Source:http://linkedlifedata.com/resource/chembl/compound/1274007

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:1284829
chemicalCompound:standardIn...	InChI=1S/C20H21N7O3S.ClH/c1-13-12-14(2)23-19(22-13)26-18(21)24-16-8-10-17(11-9-16)31(29,30)27-20(28)25-15-6-4-3-5-7-15;/h3-12H,1-2H3,(H2,25,27,28)(H3,21,22,23,24,26);1H
chemicalCompound:standardIn...	OVVWUVKICXSRRN-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.Cc1cc(C)nc(NC(=N)Nc2ccc(cc2)S(=O)(=O)NC(=O)Nc3ccccc3)n1
chemicalCompound:molecularF...	C20H22ClN7O3S
chemicalCompound:moleculeId	1274007
chemicalCompound:mwFreebase	439.491
chemicalCompound:alogp	2.152
chemicalCompound:hba	6
chemicalCompound:hbd	5
chemicalCompound:psa	157.33
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.658
chemicalCompound:acdLogP	1.067
chemicalCompound:acdLogD	-0.801
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	475.952
chemicalCompound:acdMostBpk...	5.119
chemicalCompound:chemblId	CHEMBL1939165
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1374007
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:7998191, activity:7999114