430502

Source:http://linkedlifedata.com/resource/chembl/compound/430502

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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/C19H19N5O3/c1-10-7-13(8-11(2)17(10)25)12-3-5-14(6-4-12)24-9-15(22-19(21)27)16(23-24)18(20)26/h3-9,25H,1-2H3,(H2,20,26)(H3,21,22,27)
chemicalCompound:standardIn...	BPBKICHTDUGKBZ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1cc(cc(C)c1O)c2ccc(cc2)n3cc(NC(=O)N)c(n3)C(=O)N
chemicalCompound:molecularF...	C19 H19 N5 O3
chemicalCompound:moleculeId	430502
chemicalCompound:mwFreebase	365.386
chemicalCompound:alogp	2.646
chemicalCompound:hba	4
chemicalCompound:hbd	4
chemicalCompound:psa	136.26
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.271
chemicalCompound:acdLogP	3.798
chemicalCompound:acdLogD	3.797
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	365.386
chemicalCompound:chemblId	CHEMBL259145
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:530502
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:2125430, activity:2125471