412412

Source:http://linkedlifedata.com/resource/chembl/compound/412412

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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/C13H15N3O2/c1-18-7-2-3-10-9(6-7)8-4-5-15-12(13(14)17)11(8)16-10/h2-3,6,12,15-16H,4-5H2,1H3,(H2,14,17)
chemicalCompound:standardIn...	RKPJMNDWLLIELL-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccc2[nH]c3C(NCCc3c2c1)C(=O)N
chemicalCompound:molecularF...	C13 H15 N3 O2
chemicalCompound:moleculeId	412412
chemicalCompound:mwFreebase	245.277
chemicalCompound:alogp	1
chemicalCompound:hba	3
chemicalCompound:hbd	3
chemicalCompound:psa	80.14
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.914
chemicalCompound:acdLogD	3.155
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	245.277
chemicalCompound:acdMostBpk...	8.5
chemicalCompound:chemblId	CHEMBL245704
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:512412
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:2036360