77731

Source:http://linkedlifedata.com/resource/chembl/compound/77731

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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/C19H25NO2/c1-3-12-8-15(22)11-19-6-7-20(2)17(18(12)19)9-13-4-5-14(21)10-16(13)19/h4-5,10,12,17-18,21H,3,6-9,11H2,1-2H3/t12-,17?,18-,19?/m1/s1
chemicalCompound:standardIn...	SZIGYSMMOMTFKG-XOZNHLLDSA-N
chemicalCompound:canonicalS...	CC[C@@H]1CC(=O)CC23CCN(C)C(Cc4ccc(O)cc24)[C@@H]13
chemicalCompound:molecularF...	C19 H25 N O2
chemicalCompound:moleculeId	77731
chemicalCompound:mwFreebase	299.407
chemicalCompound:alogp	2.734
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	40.54
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.049
chemicalCompound:acdLogP	3.699
chemicalCompound:acdLogD	2.424
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	299.407
chemicalCompound:acdMostBpk...	8.771
chemicalCompound:chemblId	CHEMBL51147
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:177731
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:869138, activity:869139