235821

Source:http://linkedlifedata.com/resource/chembl/compound/235821

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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/C30H50O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h20-25,31-32H,1,8-18H2,2-7H3/t20-,21+,22-,23+,24+,25+,27-,28+,29+,30+/m0/s1
chemicalCompound:standardIn...	FVWJYYTZTCVBKE-PGROKZIJSA-N
chemicalCompound:canonicalS...	CC(=C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12
chemicalCompound:molecularF...	C30H50O2
chemicalCompound:moleculeId	235821
chemicalCompound:mwFreebase	442.717
chemicalCompound:alogp	6.312
chemicalCompound:hba	2
chemicalCompound:hbd	2
chemicalCompound:psa	40.46
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	8.607
chemicalCompound:acdLogD	8.607
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	442.717
chemicalCompound:chemblId	CHEMBL140040
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:335821
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:254196, activity:254197, activity:254198, activity:2576961, activity:2576965, activity:2576969, activity:2576973, activity:2576977, activity:2576981, activity:2576985