343964

Source:http://linkedlifedata.com/resource/chembl/compound/343964

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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:343964_Cholic Acid_INN
chemicalCompound:standardIn...	InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1
chemicalCompound:standardIn...	BHQCQFFYRZLCQQ-OELDTZBJSA-N
chemicalCompound:canonicalS...	C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
chemicalCompound:molecularF...	C24H40O5
chemicalCompound:moleculeId	343964
chemicalCompound:mwFreebase	408.571
chemicalCompound:alogp	2.912
chemicalCompound:hba	5
chemicalCompound:hbd	4
chemicalCompound:psa	97.99
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.758
chemicalCompound:acdLogP	2.883
chemicalCompound:acdLogD	0.268
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	408.571
chemicalCompound:chemblId	CHEMBL205596
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:443964
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	CHOLIC ACID
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:16359
chemicalCompound:activity	activity:1701977, activity:1848611, activity:1848622, activity:1848633, activity:1848664, activity:1848665, activity:1848676, activity:1918813, activity:1918821, activity:1918827, activity:1918833, activity:1918839, activity:2117894, activity:2117957, activity:2357393, activity:2385474, activity:2485336, activity:2485352, activity:2485368, activity:2485384, activity:2485400, activity:2485416, activity:2485432, activity:2485460, activity:2485478, activity:2485496, activity:2485508, activity:2668438, activity:2668439, activity:2668440, activity:2668441, activity:2668841, activity:2668846, activity:2668848, activity:2668852, activity:2948199, activity:2948203, activity:2948208, activity:2948211, activity:2948216, activity:2948217, activity:2948221, activity:2948222, activity:2948223, activity:2948224, activity:2948237, activity:2948238, activity:2948245, activity:2948246, activity:2948260, activity:2948262, activity:2948265, activity:3342516, activity:3342517, activity:3342518, activity:3342519, activity:3342520, activity:3342521, activity:3350248, activity:3350257, activity:3350266, activity:3350275, activity:3454468, activity:3454482