33911

Source:http://linkedlifedata.com/resource/chembl/compound/33911

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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/C29H41NO3/c1-28-8-6-23-21(15-30-25-14-20(31)5-7-29(23,25)2)22(28)3-4-24(28)27(32)33-26-18-10-16-9-17(12-18)13-19(26)11-16/h14,16-19,21-24,26,30H,3-13,15H2,1-2H3/t16-,17+,18-,19+,21?,22?,23?,24-,26?,28+,29-/m1/s1
chemicalCompound:standardIn...	CECSFCKUXJBSMW-REHKDQSCSA-N
chemicalCompound:canonicalS...	C[C@]12CCC3C(CNC4=CC(=O)CC[C@]34C)C1CC[C@@H]2C(=O)OC5[C@@H]6C[C@H]7C[C@H](C[C@@H]5C7)C6
chemicalCompound:molecularF...	C29 H41 N O3
chemicalCompound:moleculeId	33911
chemicalCompound:mwFreebase	451.641
chemicalCompound:alogp	4.602
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	55.4
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	5.607
chemicalCompound:acdLogD	5.601
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	451.641
chemicalCompound:acdMostBpk...	5.504
chemicalCompound:chemblId	CHEMBL24929
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:133911
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:273685, activity:273686, activity:273687