285786

Source:http://linkedlifedata.com/resource/chembl/compound/285786

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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/C15H12Cl3N5/c16-9-3-2-8(5-10(9)17)21-6-7-1-4-11-12(13(7)18)14(19)23-15(20)22-11/h1-5,21H,6H2,(H4,19,20,22,23)
chemicalCompound:standardIn...	KBKJXVMKCWBZLB-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Nc1nc(N)c2c(Cl)c(CNc3ccc(Cl)c(Cl)c3)ccc2n1
chemicalCompound:molecularF...	C15 H12 Cl3 N5
chemicalCompound:moleculeId	285786
chemicalCompound:mwFreebase	368.648
chemicalCompound:alogp	4.34
chemicalCompound:hba	5
chemicalCompound:hbd	3
chemicalCompound:psa	89.85
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.278
chemicalCompound:acdLogD	2.818
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	368.648
chemicalCompound:acdMostBpk...	7.457
chemicalCompound:chemblId	CHEMBL172345
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:385786
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:389480, activity:8243096, activity:8275800, activity:8303065, activity:8377623, activity:8406900, activity:8468664, activity:8497323, activity:8514852, activity:8557833, activity:8634317, activity:8636188, activity:8663935, activity:8752411, activity:8754244, activity:8852098, activity:8854124, activity:8889622, activity:8905470, activity:8948671, activity:8964584, activity:9016482, activity:9060587, activity:9083505, activity:9094673, activity:9161109, activity:9178124, activity:9186224, activity:9269577, activity:9298348, activity:9358205, activity:9363510, activity:9419098, activity:9490978, activity:9502187, activity:9523169, activity:9562849, activity:9664508, activity:9702771, activity:9727227, activity:9795102, activity:9836499, activity:9865237, activity:9936685, activity:9973630, activity:10031299, activity:10065488, activity:10084602, activity:10109527, activity:10143712, activity:10163211, activity:10227534, activity:10256488, activity:10263191, activity:10312849, activity:10341953, activity:10412367, activity:10456384, activity:10489282, activity:10523375, activity:10560152, activity:10573576, activity:10588890, activity:10649605, activity:10682276, activity:10702456, activity:10753572