552371

Source:http://linkedlifedata.com/resource/chembl/compound/552371

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:664145
chemicalCompound:standardIn...	InChI=1S/C16H30N2O2.ClH/c1-11(2)17-9-13(19)10-20-18-14-8-12-6-7-16(14,5)15(12,3)4;/h11-13,17,19H,6-10H2,1-5H3;1H/b18-14+;
chemicalCompound:standardIn...	ASACNNKIYRNLIG-LSJACRKWSA-N
chemicalCompound:canonicalS...	Cl.CC(C)NCC(O)CO\N=C\1/CC2CCC1(C)C2(C)C
chemicalCompound:molecularF...	C16H31ClN2O2
chemicalCompound:moleculeId	552371
chemicalCompound:mwFreebase	282.422
chemicalCompound:alogp	2
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	53.85
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	3.716
chemicalCompound:acdLogD	1.754
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	318.883
chemicalCompound:acdMostBpk...	9.246
chemicalCompound:chemblId	CHEMBL540337
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:652371
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:719097, activity:719098, activity:719099