31241

Source:http://linkedlifedata.com/resource/chembl/compound/31241

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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:31241_Ethynylestradiol_OTHER, synonym:31241_Etinestryl_TRADE_NAME, synonym:31241_Follicoral_TRADE_NAME, synonym:31241_Ginestrene_OTHER
chemicalCompound:standardIn...	InChI=1S/C20H24O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t16-,17-,18+,19+,20+/m1/s1
chemicalCompound:standardIn...	BFPYWIDHMRZLRN-SLHNCBLASA-N
chemicalCompound:canonicalS...	C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)C#C
chemicalCompound:molecularF...	C20H24O2
chemicalCompound:moleculeId	31241
chemicalCompound:mwFreebase	296.403
chemicalCompound:alogp	4.886
chemicalCompound:hba	2
chemicalCompound:hbd	2
chemicalCompound:psa	40.46
chemicalCompound:rtb	0
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.243
chemicalCompound:acdLogP	4.106
chemicalCompound:acdLogD	4.106
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	296.403
chemicalCompound:chemblId	CHEMBL691
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	Yes
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:131241
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	Yes
chemicalCompound:parenteral	No
chemicalCompound:topical	Yes
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	Yes
chemicalCompound:proDrug	No
chemicalCompound:prefName	ETHINYL ESTRADIOL
chemicalCompound:activity	activity:99372, activity:99373, activity:99374, activity:99375, activity:99376, activity:99377, activity:99378, activity:189440, activity:189441, activity:189442, activity:189443, activity:189444, activity:217645, activity:217646, activity:218782, activity:300545, activity:300546, activity:300547, activity:300548, activity:300549, activity:300550, activity:300551, activity:300552, activity:300553, activity:300554, activity:346546, activity:346547, activity:346548, activity:442529, activity:442530, activity:589898, activity:607581, activity:607582, activity:735500, activity:735501, activity:735502, activity:738725, activity:867294, activity:867295, activity:867296, activity:867297, activity:1067472, activity:1067473, activity:1067474, activity:1067475, activity:1067476, activity:1067477, activity:1067478, activity:1255048, activity:1255049, activity:1255050, activity:1273793, activity:1273794, activity:1302733, activity:1302734, activity:1302735, activity:1302736, activity:1436574, activity:1436575, activity:1436576, activity:1445893, activity:1445894