77076

Source:http://linkedlifedata.com/resource/chembl/compound/77076

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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/C21H27NO2/c1-13-8-17(24)11-21-6-7-22(12-14-2-3-14)19(20(13)21)9-15-4-5-16(23)10-18(15)21/h4-5,10,13-14,19-20,23H,2-3,6-9,11-12H2,1H3/t13-,19?,20-,21?/m0/s1
chemicalCompound:standardIn...	LHBKJDAAKOBCFF-MYDUYZGFSA-N
chemicalCompound:canonicalS...	C[C@H]1CC(=O)CC23CCN(CC4CC4)C(Cc5ccc(O)cc25)[C@H]13
chemicalCompound:molecularF...	C21 H27 N O2
chemicalCompound:moleculeId	77076
chemicalCompound:mwFreebase	325.445
chemicalCompound:alogp	3.098
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	40.54
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.069
chemicalCompound:acdLogP	4.089
chemicalCompound:acdLogD	2.795
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	325.445
chemicalCompound:acdMostBpk...	8.691
chemicalCompound:chemblId	CHEMBL52489
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:177076
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:900660, activity:900661, activity:900662