250846

Source:http://linkedlifedata.com/resource/chembl/compound/250846

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C37H60O10/c1-23(38)47-27-16-18-35(10)25(34(27,8)9)15-19-37(12)26(35)14-13-24(29(40)44-22-46-31(42)33(5,6)7)36(37,11)20-17-28(39)43-21-45-30(41)32(2,3)4/h24-27H,13-22H2,1-12H3/t24-,25+,26-,27+,35+,36-,37-/m1/s1
chemicalCompound:standardIn...	ZCGSWLJLMFOODZ-TYILGNPTSA-N
chemicalCompound:canonicalS...	CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@H](C(=O)OCOC(=O)C(C)(C)C)[C@@]3(C)CCC(=O)OCOC(=O)C(C)(C)C)C1(C)C
chemicalCompound:molecularF...	C37 H60 O10
chemicalCompound:moleculeId	250846
chemicalCompound:mwFreebase	664.866
chemicalCompound:alogp	7.438
chemicalCompound:hba	10
chemicalCompound:hbd	0
chemicalCompound:psa	131.5
chemicalCompound:rtb	16
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	8.397
chemicalCompound:acdLogD	8.397
chemicalCompound:fullMwt	664.866
chemicalCompound:chemblId	CHEMBL151470
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:350846
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:59785