1022492

Source:http://linkedlifedata.com/resource/chembl/compound/1022492

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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/C17H20ClN3O3/c1-20-14-7-11(18)6-12(16(14)24-9-15(20)22)17(23)19-13-8-21-4-2-10(13)3-5-21/h6-7,10,13H,2-5,8-9H2,1H3,(H,19,23)
chemicalCompound:standardIn...	WUKZPHOXUVCQOR-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN1C(=O)COc2c1cc(Cl)cc2C(=O)NC3CN4CCC3CC4
chemicalCompound:molecularF...	C17H20ClN3O3
chemicalCompound:moleculeId	1022492
chemicalCompound:mwFreebase	349.812
chemicalCompound:alogp	1.234
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	61.88
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.314
chemicalCompound:acdLogP	-0.034
chemicalCompound:acdLogD	-2.368
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	349.812
chemicalCompound:acdMostBpk...	9.479
chemicalCompound:chemblId	CHEMBL1598608
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1122492
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	AZASETRON
chemicalCompound:activity	activity:3928219, activity:5517815, activity:6659464, activity:7601980, activity:7601981, activity:7601982, activity:7601983, activity:7601984, activity:7601985, activity:7601986, activity:7601987, activity:7601988, activity:7601989, activity:7601990, activity:7601991, activity:7601992, activity:7601993, activity:7601994, activity:7601995, activity:7601996, activity:7601997, activity:7601998, activity:7601999, activity:7603343, activity:7603344, activity:7603345, activity:7603346, activity:7603347, activity:7603348, activity:7603349, activity:7603350, activity:7603351, activity:7603352, activity:7603353, activity:7603354, activity:7603355, activity:7603356, activity:7603357, activity:7603358, activity:7603359, activity:7603360, activity:7603361, activity:7603362, activity:7603363, activity:7603364, activity:7603365, activity:7603366, activity:7603367, activity:7603368, activity:7603369, activity:7603370, activity:7603371, activity:7603372, activity:7603373, activity:7603374, activity:7603375, activity:7603376, activity:7603377, activity:7603378, activity:7603379, activity:7603380, activity:7603381, activity:7603382, activity:7603383, activity:7603384