11212

Source:http://linkedlifedata.com/resource/chembl/compound/11212

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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:11212_Aldosterone_INN
chemicalCompound:standardIn...	InChI=1S/C21H28O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h8,11,14-17,19,22,25H,2-7,9-10H2,1H3/t14-,15-,16+,17-,19+,20-,21+/m0/s1
chemicalCompound:standardIn...	PQSUYGKTWSAVDQ-ZVIOFETBSA-N
chemicalCompound:canonicalS...	C[C@]12CCC(=O)C=C1CC[C@H]3[C@@H]4CC[C@H](C(=O)CO)[C@]4(C[C@H](O)[C@H]23)C=O
chemicalCompound:molecularF...	C21H28O5
chemicalCompound:moleculeId	11212
chemicalCompound:mwFreebase	360.444
chemicalCompound:alogp	1.184
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	91.67
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.977
chemicalCompound:acdLogP	0.706
chemicalCompound:acdLogD	0.706
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	360.444
chemicalCompound:chemblId	CHEMBL273453
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:111212
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	ALDOSTERONE
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:27584
chemicalCompound:activity	activity:54193, activity:54194, activity:54195, activity:68675, activity:68676, activity:220010, activity:226012, activity:226013, activity:226014, activity:226015, activity:372019, activity:446020, activity:446021, activity:446022, activity:446023, activity:446024, activity:446025, activity:446026, activity:446027, activity:446028, activity:446029, activity:597949, activity:597950, activity:642991, activity:762200, activity:835865, activity:835866, activity:986832, activity:1072459, activity:1072460, activity:1188487, activity:1240256, activity:1504411, activity:1605648, activity:1721129, activity:2058687, activity:2155674, activity:2530012, activity:3224289, activity:3229898, activity:3230003, activity:3502450, activity:3502461, activity:4303643, activity:5014278, activity:5057244, activity:5246419, activity:5479110, activity:6562508, activity:6754273, activity:6962322, activity:7464447, activity:7565916, activity:7565917, activity:7846336