421029

Source:http://linkedlifedata.com/resource/chembl/compound/421029

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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/C22H30O3/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21)12-8-19(24)25-22/h13,16-18H,3-12H2,1-2H3/t16-,17+,18+,20+,21+,22-/m1/s1
chemicalCompound:standardIn...	UWBICEKKOYXZRG-WNHSNXHDSA-N
chemicalCompound:canonicalS...	C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3CC[C@@]45CCC(=O)O5
chemicalCompound:molecularF...	C22H30O3
chemicalCompound:moleculeId	421029
chemicalCompound:mwFreebase	342.472
chemicalCompound:alogp	3.963
chemicalCompound:hba	3
chemicalCompound:hbd	0
chemicalCompound:psa	43.37
chemicalCompound:rtb	0
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.243
chemicalCompound:acdLogD	3.243
chemicalCompound:fullMwt	342.472
chemicalCompound:chemblId	CHEMBL400534
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:521029
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:2055364, activity:2055456, activity:2403588, activity:2403615, activity:6670875, activity:6830590, activity:7260998