223951

Source:http://linkedlifedata.com/resource/chembl/compound/223951

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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/C22H19N5O3/c28-11-12-30-14-26-13-23-18-20(26)25-22-24-17(15-7-3-1-4-8-15)19(27(22)21(18)29)16-9-5-2-6-10-16/h1-10,13,28-29H,11-12,14H2
chemicalCompound:standardIn...	YFWOHWJYEXYVDC-UHFFFAOYSA-N
chemicalCompound:canonicalS...	OCCOCn1cnc2c(O)n3c(c4ccccc4)c(nc3nc12)c5ccccc5
chemicalCompound:molecularF...	C22 H19 N5 O3
chemicalCompound:moleculeId	223951
chemicalCompound:mwFreebase	401.418
chemicalCompound:alogp	3.609
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	97.7
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	-4.961
chemicalCompound:acdLogP	2.184
chemicalCompound:acdLogD	-0.856
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	401.418
chemicalCompound:acdMostBpk...	7.12
chemicalCompound:chemblId	CHEMBL135675
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:323951
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:1092339, activity:1092340, activity:1092341, activity:1092342, activity:1092343, activity:1092344, activity:1092345, activity:1092346, activity:1092347, activity:1092348, activity:1092349