77193

Source:http://linkedlifedata.com/resource/chembl/compound/77193

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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/C20H25NO2/c1-3-7-21-8-6-20-12-16(23)9-13(2)19(20)18(21)10-14-4-5-15(22)11-17(14)20/h3-5,11,13,18-19,22H,1,6-10,12H2,2H3/t13?,18?,19-,20?/m0/s1
chemicalCompound:standardIn...	PZHULVXDBMMNAZ-XJYAOJGJSA-N
chemicalCompound:canonicalS...	CC1CC(=O)CC23CCN(CC=C)C(Cc4ccc(O)cc24)[C@H]13
chemicalCompound:molecularF...	C20 H25 N O2
chemicalCompound:moleculeId	77193
chemicalCompound:mwFreebase	311.418
chemicalCompound:alogp	2.894
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	40.54
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.067
chemicalCompound:acdLogP	3.788
chemicalCompound:acdLogD	3.181
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	311.418
chemicalCompound:acdMostBpk...	7.899
chemicalCompound:chemblId	CHEMBL412819
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:177193
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:895772, activity:895773