419616

Source:http://linkedlifedata.com/resource/chembl/compound/419616

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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/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,15-19,23H,5-12H2,1-3H3/t15-,16-,17+,18-,19-,20-,21+/m0/s1
chemicalCompound:standardIn...	ORNBQBCIOKFOEO-QGVNFLHTSA-N
chemicalCompound:canonicalS...	CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
chemicalCompound:molecularF...	C21H32O2
chemicalCompound:moleculeId	419616
chemicalCompound:mwFreebase	316.478
chemicalCompound:alogp	3.624
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	37.29
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.596
chemicalCompound:acdLogD	4.596
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	316.478
chemicalCompound:chemblId	CHEMBL253363
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:519616
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	PREGNENOLONE
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:16581
chemicalCompound:activity	activity:39573, activity:39574, activity:48104, activity:48105, activity:149006, activity:250688, activity:250689, activity:356520, activity:544613, activity:544614, activity:772137, activity:951278, activity:985106, activity:985107, activity:1053767, activity:1115792, activity:1201398, activity:1245665, activity:1504546, activity:2058605, activity:2122886, activity:2155698, activity:2179950, activity:2179953, activity:2179957, activity:2179959, activity:2549800, activity:2549813, activity:2549822, activity:2549883, activity:2549884, activity:2549885, activity:2549886, activity:2686058, activity:2686059, activity:2686060, activity:2686061, activity:2686062, activity:2686063, activity:2686064, activity:2686065, activity:2933505, activity:3229909, activity:3229992, activity:3638002, activity:4687998, activity:6074802, activity:6074810, activity:6074816, activity:6228789, activity:6228792, activity:6228795, activity:6228814, activity:6228815, activity:6228816, activity:6666378, activity:6862806, activity:7080070, activity:7565885, activity:7565923, activity:7565924, activity:7565925, activity:7565926, activity:7565927, activity:7565928, activity:8046637