1150481

Source:http://linkedlifedata.com/resource/chembl/compound/1150481

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:1763
chemicalCompound:standardIn...	InChI=1S/C30H48O3.C5H8O4/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7;6-4(7)2-1-3-5(8)9/h19-24,31H,1,8-17H2,2-7H3,(H,32,33);1-3H2,(H,6,7)(H,8,9)/t19-,20+,21-,22+,23-,24+,27-,28+,29+,30-;/m0./s1
chemicalCompound:standardIn...	SOMFEEKMGGVOES-WPWIBRCCSA-N
chemicalCompound:canonicalS...	CC(=C)[C@@H]1CC[C@@]2(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)C(=O)O.OC(=O)CCCC(=O)O
chemicalCompound:molecularF...	C35H56O7
chemicalCompound:moleculeId	1150481
chemicalCompound:mwFreebase	456.7
chemicalCompound:alogp	6.546
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	57.53
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.612
chemicalCompound:acdLogP	7.653
chemicalCompound:acdLogD	4.908
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	588.815
chemicalCompound:chemblId	CHEMBL1783811
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1250481
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:6227790