441984

Source:http://linkedlifedata.com/resource/chembl/compound/441984

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:441984_HDCA_OTHER
chemicalCompound:standardIn...	InChI=1S/C24H40O4/c1-14(4-7-22(27)28)17-5-6-18-16-13-21(26)20-12-15(25)8-10-24(20,3)19(16)9-11-23(17,18)2/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16+,17-,18+,19+,20+,21+,23-,24-/m1/s1
chemicalCompound:standardIn...	DGABKXLVXPYZII-SIBKNCMHSA-N
chemicalCompound:canonicalS...	C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
chemicalCompound:molecularF...	C24 H40 O4
chemicalCompound:moleculeId	441984
chemicalCompound:mwFreebase	392.572
chemicalCompound:alogp	4.014
chemicalCompound:hba	4
chemicalCompound:hbd	3
chemicalCompound:psa	77.76
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.758
chemicalCompound:acdLogP	5.053
chemicalCompound:acdLogD	2.442
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	392.572
chemicalCompound:chemblId	CHEMBL272621
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:541984
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	HYODEOXYCHOLIC_ACID
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:52023
chemicalCompound:activity	activity:2117889, activity:2117952, activity:3463668, activity:3463705, activity:3463742, activity:6074895, activity:7564575, activity:7564576, activity:7564577, activity:7564578, activity:7564579, activity:7564580, activity:7564581, activity:7564582, activity:7564583, activity:7564584, activity:7564585, activity:7564586, activity:7564587, activity:7564588, activity:7564589, activity:7564590