180407

Source:http://linkedlifedata.com/resource/chembl/compound/180407

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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/C11H16N2O/c1-3-6-14-12-9-7-10-4-5-11(8-9)13(10)2/h1,10-11H,4-8H2,2H3
chemicalCompound:standardIn...	UFSPAQAFSVHNMR-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN1C2CCC1CC(=NOCC#C)C2
chemicalCompound:molecularF...	C11 H16 N2 O
chemicalCompound:moleculeId	180407
chemicalCompound:mwFreebase	192.258
chemicalCompound:alogp	1.901
chemicalCompound:hba	3
chemicalCompound:hbd	0
chemicalCompound:psa	24.83
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	1.576
chemicalCompound:acdLogD	0.674
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	192.258
chemicalCompound:acdMostBpk...	8.246
chemicalCompound:chemblId	CHEMBL321041
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:280407
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:369121, activity:369122, activity:369123, activity:369124, activity:369125, activity:369126, activity:369127, activity:369128, activity:369129, activity:369130