583652

Source:http://linkedlifedata.com/resource/chembl/compound/583652

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:583652_GNF-PF-428_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C16H19N3O3/c1-11-14(12(2)22-18-11)15(20)19-9-6-16(21,7-10-19)13-5-3-4-8-17-13/h3-5,8,21H,6-7,9-10H2,1-2H3
chemicalCompound:standardIn...	YAOAGVCKLJPCHQ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1onc(C)c1C(=O)N2CCC(O)(CC2)c3ccccn3
chemicalCompound:molecularF...	C16H19N3O3
chemicalCompound:moleculeId	583652
chemicalCompound:mwFreebase	301.34
chemicalCompound:alogp	0.276
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	79.46
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.787
chemicalCompound:acdLogP	1.24
chemicalCompound:acdLogD	1.239
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	301.34
chemicalCompound:acdMostBpk...	5.433
chemicalCompound:chemblId	CHEMBL582525
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:683652
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:3024102, activity:3027872, activity:3028736, activity:3045619, activity:6236219