1153593

Source:http://linkedlifedata.com/resource/chembl/compound/1153593

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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/C20H18N6O2/c1-28-18-9-15(7-8-17(18)27)10-23-25-19-16-11-24-26(20(16)22-13-21-19)12-14-5-3-2-4-6-14/h2-11,13,27H,12H2,1H3,(H,21,22,25)
chemicalCompound:standardIn...	ASFADYMEYHSSND-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1cc(C=NNc2ncnc3c2cnn3Cc4ccccc4)ccc1O
chemicalCompound:molecularF...	C20H18N6O2
chemicalCompound:moleculeId	1153593
chemicalCompound:mwFreebase	374.396
chemicalCompound:alogp	3.583
chemicalCompound:hba	7
chemicalCompound:hbd	2
chemicalCompound:psa	97.45
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.272
chemicalCompound:acdLogP	3.933
chemicalCompound:acdLogD	3.793
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	374.396
chemicalCompound:acdMostBpk...	3.4
chemicalCompound:chemblId	CHEMBL1789962
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1253593
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:197208, activity:7329086, activity:8061375, activity:8061376, activity:8061377, activity:8061378, activity:8061379, activity:8061380, activity:8061381, activity:8061382, activity:8061383, activity:8061384, activity:8061385, activity:8061386, activity:8061387, activity:8061388, activity:8061389, activity:8061390, activity:8061391, activity:8061392, activity:8061393, activity:8061394, activity:8061395, activity:8061396, activity:8061397, activity:8061398, activity:8061399, activity:8061400, activity:8061401, activity:8061402, activity:8061403, activity:8061404, activity:8061405, activity:8061406, activity:8061407, activity:8061408, activity:8061409, activity:8061410, activity:8061411, activity:8061412, activity:8061413, activity:8061414, activity:8061415, activity:8061416, activity:8061417, activity:8061418, activity:8061419, activity:8061420, activity:8061421, activity:8061422, activity:8061423, activity:8061424, activity:8061425, activity:8061426, activity:8061427, activity:8061428, activity:8061429, activity:8061430, activity:8061431, activity:8061432, activity:8061433, activity:8061434, activity:8061435, activity:8061436, activity:8061437, activity:8061438