674972

Source:http://linkedlifedata.com/resource/chembl/compound/674972

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
chemicalCompound:parent	chemicalCompound:27626
chemicalCompound:synonym	synonym:674972_Estradiol hemihydrate_OTHER
chemicalCompound:standardIn...	InChI=1S/C18H24O2.H2O/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20;/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3;1H2/t14-,15-,16+,17+,18+;/m1./s1
chemicalCompound:standardIn...	QJNCGXGNKJUDEM-CMZLOHJFSA-N
chemicalCompound:canonicalS...	O.C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O
chemicalCompound:molecularF...	C18H26O3
chemicalCompound:moleculeId	674972
chemicalCompound:mwFreebase	272.382
chemicalCompound:alogp	3.838
chemicalCompound:hba	2
chemicalCompound:hbd	2
chemicalCompound:psa	40.46
chemicalCompound:rtb	0
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.273
chemicalCompound:acdLogP	4.146
chemicalCompound:acdLogD	4.145
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	290.397
chemicalCompound:chemblId	CHEMBL1201021
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	Yes
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:774972
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	Yes
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	Yes
chemicalCompound:proDrug	No
chemicalCompound:prefName	ESTRADIOL HEMIHYDRATE
chemicalCompound:firstAppro...	2003