463764

Source:http://linkedlifedata.com/resource/chembl/compound/463764

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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/C32H50O6/c1-17(2)20-13-22(35)26-31(8)10-9-19-25(30(31,7)11-12-32(20,26)16-38-18(3)33)21(34)14-24-28(4,5)27(37)23(36)15-29(19,24)6/h9,17,20-26,34-36H,10-16H2,1-8H3/t20-,21-,22+,23+,24-,25-,26+,29+,30-,31+,32+/m0/s1
chemicalCompound:standardIn...	IWIVDUNOLOIWLV-MHQBMSPJSA-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(=O)[C@H](O)C[C@]45C)[C@]3(C)CC[C@@]12COC(=O)C
chemicalCompound:molecularF...	C32H50O6
chemicalCompound:moleculeId	463764
chemicalCompound:mwFreebase	530.736
chemicalCompound:alogp	3.612
chemicalCompound:hba	6
chemicalCompound:hbd	3
chemicalCompound:psa	104.06
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.883
chemicalCompound:acdLogP	4.024
chemicalCompound:acdLogD	4.024
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	530.736
chemicalCompound:chemblId	CHEMBL460714
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:563764
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:2434117, activity:2434137, activity:2434157, activity:2434177, activity:2434192