328137

Source:http://linkedlifedata.com/resource/chembl/compound/328137

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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:328137_Estriol_INN
chemicalCompound:standardIn...	InChI=1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,17+,18+/m1/s1
chemicalCompound:standardIn...	PROQIPRRNZUXQM-ZXXIGWHRSA-N
chemicalCompound:canonicalS...	C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1C[C@@H](O)[C@@H]2O
chemicalCompound:molecularF...	C18H24O3
chemicalCompound:moleculeId	328137
chemicalCompound:mwFreebase	288.381
chemicalCompound:alogp	2.871
chemicalCompound:hba	3
chemicalCompound:hbd	3
chemicalCompound:psa	60.69
chemicalCompound:rtb	0
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.252
chemicalCompound:acdLogP	2.527
chemicalCompound:acdLogD	2.527
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	288.381
chemicalCompound:chemblId	CHEMBL193482
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:428137
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	ESTRIOL
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:27974
chemicalCompound:activity	activity:50871, activity:50872, activity:245210, activity:245211, activity:377684, activity:473002, activity:473003, activity:513123, activity:513124, activity:578583, activity:584885, activity:585980, activity:759318, activity:759319, activity:965576, activity:1038105, activity:1132811, activity:1225209, activity:1239028, activity:1504428, activity:1605626, activity:2058653, activity:2155692, activity:2515782, activity:3229884, activity:3230017, activity:5317359, activity:5318310, activity:5319261, activity:6074896, activity:6074915, activity:6074920, activity:7565646, activity:7565647, activity:7565648, activity:7565649, activity:7565650, activity:7565651, activity:7565652, activity:7565653, activity:7565654, activity:7565655, activity:7565656, activity:7565657, activity:7565658, activity:7565659, activity:7565660, activity:7565661, activity:7565662, activity:7565663, activity:7565664, activity:7565665, activity:7565666, activity:7565667, activity:7565668, activity:7565669, activity:7565670, activity:7652333, activity:7652334, activity:7652335, activity:7652336, activity:7652337, activity:7652338, activity:7652339