538575

Source:http://linkedlifedata.com/resource/chembl/compound/538575

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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:1419
chemicalCompound:standardIn...	InChI=1S/C11H14ClN5.ClH/c1-11(2)16-9(13)15-10(14)17(11)8-5-3-4-7(12)6-8;/h3-6H,1-2H3,(H4,13,14,15,16);1H
chemicalCompound:standardIn...	XHCUHVHWTQIMSO-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.CC1(C)N=C(N)N=C(N)N1c2cccc(Cl)c2
chemicalCompound:molecularF...	C11H15Cl2N5
chemicalCompound:moleculeId	538575
chemicalCompound:mwFreebase	251.715
chemicalCompound:alogp	1.623
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	80
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	0.961
chemicalCompound:acdLogD	-0.636
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	288.176
chemicalCompound:acdMostBpk...	9.205
chemicalCompound:chemblId	CHEMBL547458
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:638575
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:2821267, activity:2823440, activity:2866534, activity:2868490, activity:2879622, activity:2890631, activity:8236508, activity:8243801, activity:8300995, activity:8357536, activity:8387181, activity:8402787, activity:8460260, activity:8488871, activity:8558514, activity:8573914, activity:8650455, activity:8655823, activity:8710458, activity:8754826, activity:8820888, activity:8859241, activity:8890117, activity:8953728, activity:9034826, activity:9058381, activity:9143642, activity:9150492, activity:9170719, activity:9274619, activity:9285257, activity:9343190, activity:9417069, activity:9495883, activity:9502757, activity:9550956, activity:9674921, activity:9754419, activity:9769411, activity:9779194, activity:9849852, activity:9878860, activity:9916933, activity:9950370, activity:9994078, activity:10009582, activity:10067971, activity:10154932, activity:10188281, activity:10199797, activity:10236994, activity:10311520, activity:10313343, activity:10355590, activity:10429832, activity:10432350, activity:10480952, activity:10578552, activity:10658785, activity:10687119, activity:10689528, activity:10780356