463765

Source:http://linkedlifedata.com/resource/chembl/compound/463765

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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/C32H52O5/c1-18(2)21-15-23(35)27-31(8)12-9-20-26(30(31,7)13-14-32(21,27)17-37-19(3)33)22(34)16-24-28(4,5)25(36)10-11-29(20,24)6/h9,18,21-27,34-36H,10-17H2,1-8H3/t21-,22-,23+,24-,25-,26-,27+,29+,30-,31+,32+/m0/s1
chemicalCompound:standardIn...	QIFUZQYPSMCPOR-CRBXCGNKSA-N
chemicalCompound:canonicalS...	CC(C)[C@@H]1C[C@@H](O)[C@@H]2[C@@]3(C)CC=C4[C@@H]([C@@H](O)C[C@H]5C(C)(C)[C@@H](O)CC[C@]45C)[C@]3(C)CC[C@@]12COC(=O)C
chemicalCompound:molecularF...	C32H52O5
chemicalCompound:moleculeId	463765
chemicalCompound:mwFreebase	516.752
chemicalCompound:alogp	4.298
chemicalCompound:hba	5
chemicalCompound:hbd	3
chemicalCompound:psa	86.99
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	6.029
chemicalCompound:acdLogD	6.029
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	516.752
chemicalCompound:chemblId	CHEMBL462905
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:563765
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:2434116, activity:2434136, activity:2434156, activity:2434176, activity:2434193, activity:2435239