419448

Source:http://linkedlifedata.com/resource/chembl/compound/419448

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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:419448_Deoxycortone_TRADE_NAME, synonym:419448_Desoxycorticosterone_FDA_ALTERNATIVE_NAME, synonym:419448_Desoxycortone_TRADE_NAME, synonym:419448_Dorcostrin_TRADE_NAME, synonym:419448_Percorten Pivalate_TRADE_NAME, synonym:419448_Undocan_TRADE_NAME
chemicalCompound:standardIn...	InChI=1S/C21H30O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h11,15-18,22H,3-10,12H2,1-2H3/t15-,16-,17-,18+,20-,21-/m0/s1
chemicalCompound:standardIn...	ZESRJSPZRDMNHY-YFWFAHHUSA-N
chemicalCompound:canonicalS...	C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO
chemicalCompound:molecularF...	C21H30O3
chemicalCompound:moleculeId	419448
chemicalCompound:mwFreebase	330.461
chemicalCompound:alogp	3.188
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	54.37
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.977
chemicalCompound:acdLogP	3.216
chemicalCompound:acdLogD	3.216
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	330.461
chemicalCompound:chemblId	CHEMBL1498
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:519448
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	Yes
chemicalCompound:proDrug	No
chemicalCompound:prefName	DESOXYCORTICOSTERONE
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:16973
chemicalCompound:activity	activity:40470, activity:40471, activity:43231, activity:43232, activity:46794, activity:46795, activity:181994, activity:241201, activity:241202, activity:353558, activity:391662, activity:391663, activity:471038, activity:471039, activity:471040, activity:471041, activity:471042, activity:471043, activity:471044, activity:471045, activity:471046, activity:471047, activity:553286, activity:553287, activity:781266, activity:952660, activity:957511, activity:957512, activity:1041617, activity:1214632, activity:1264396, activity:1504423, activity:2058667, activity:2155699, activity:2158516, activity:3229899, activity:3230002, activity:3884552, activity:4063953, activity:4194600, activity:4264085, activity:4396013, activity:4729765, activity:5008277, activity:5478572, activity:5614477, activity:5736142, activity:6679862, activity:7036405, activity:7108725, activity:7565920