429174

Source:http://linkedlifedata.com/resource/chembl/compound/429174

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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:429174_Desogestrel_BAN, synonym:429174_Desogestrel_FDA_ALTERNATIVE_NAME, synonym:429174_Desogestrel_INN, synonym:429174_Desogestrel_USAN, synonym:429174_ORG-2969_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C22H30O/c1-4-21-14-15(3)20-17-9-7-6-8-16(17)10-11-18(20)19(21)12-13-22(21,23)5-2/h2,8,17-20,23H,3-4,6-7,9-14H2,1H3/t17-,18-,19-,20+,21-,22-/m0/s1
chemicalCompound:standardIn...	RPLCPCMSCLEKRS-BPIQYHPVSA-N
chemicalCompound:canonicalS...	CC[C@]12CC(=C)[C@H]3[C@@H](CCC4=CCCC[C@H]34)[C@@H]1CC[C@@]2(O)C#C
chemicalCompound:molecularF...	C22 H30 O
chemicalCompound:moleculeId	429174
chemicalCompound:mwFreebase	310.473
chemicalCompound:alogp	5.828
chemicalCompound:hba	1
chemicalCompound:hbd	1
chemicalCompound:psa	20.23
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.068
chemicalCompound:acdLogP	5.351
chemicalCompound:acdLogD	5.351
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	310.473
chemicalCompound:chemblId	CHEMBL1533
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	Yes
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:529174
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	Yes
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	Yes
chemicalCompound:proDrug	No
chemicalCompound:prefName	DESOGESTREL
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:4453
chemicalCompound:firstAppro...	1992
chemicalCompound:activity	activity:2155691, activity:5317280, activity:5318231, activity:5319182, activity:6519693, activity:7106590, activity:7548618, activity:10302254