34423

Source:http://linkedlifedata.com/resource/chembl/compound/34423

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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/C33H48N2O2/c1-30(2,3)20-15-21(31(4,5)6)17-22(16-20)35-29(37)27-10-9-25-24-19-34-28-18-23(36)11-13-33(28,8)26(24)12-14-32(25,27)7/h15-18,24-27,34H,9-14,19H2,1-8H3,(H,35,37)/t24?,25?,26?,27-,32+,33-/m1/s1
chemicalCompound:standardIn...	VEAHYIFQNRGWBM-AUQMWIRBSA-N
chemicalCompound:canonicalS...	CC(C)(C)c1cc(NC(=O)[C@H]2CCC3C4CNC5=CC(=O)CC[C@]5(C)C4CC[C@]23C)cc(c1)C(C)(C)C
chemicalCompound:molecularF...	C33 H48 N2 O2
chemicalCompound:moleculeId	34423
chemicalCompound:mwFreebase	504.746
chemicalCompound:alogp	6.075
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	58.2
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	6.602
chemicalCompound:acdLogD	6.596
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	504.746
chemicalCompound:acdMostBpk...	5.538
chemicalCompound:chemblId	CHEMBL25516
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:134423
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:303097, activity:303098, activity:303099, activity:683022, activity:683023, activity:683024