530674

Source:http://linkedlifedata.com/resource/chembl/compound/530674

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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:33576
chemicalCompound:standardIn...	InChI=1S/C22H24BrFN4O2.ClH/c1-28-7-5-14(6-8-28)12-30-21-11-19-16(10-20(21)29-2)22(26-13-25-19)27-18-4-3-15(23)9-17(18)24;/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,25,26,27);1H
chemicalCompound:standardIn...	KVBQCJXMSFJOFP-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC4CCN(C)CC4
chemicalCompound:molecularF...	C22H25BrClFN4O2
chemicalCompound:moleculeId	530674
chemicalCompound:mwFreebase	475.354
chemicalCompound:alogp	5.087
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	59.51
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.998
chemicalCompound:acdLogD	2.501
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	511.815
chemicalCompound:acdMostBpk...	8.92
chemicalCompound:chemblId	CHEMBL533849
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:630674
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:328339, activity:328340, activity:328341, activity:328342, activity:328343, activity:328344, activity:328345, activity:328346, activity:328347, activity:328348, activity:328349, activity:328350, activity:328351, activity:328352, activity:328353, activity:328354, activity:328355, activity:328356, activity:328357, activity:328358, activity:328359, activity:328360, activity:328361, activity:328362, activity:328363, activity:328364, activity:328365, activity:328366, activity:328367, activity:328368, activity:328369, activity:2810705, activity:2811449, activity:2845858, activity:2846680, activity:2861806, activity:2887781