419443

Source:http://linkedlifedata.com/resource/chembl/compound/419443

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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:419443_11-Deoxycortisol_OTHER, synonym:419443_Cortexolone_OTHER, synonym:419443_Cortodoxone_OTHER
chemicalCompound:standardIn...	InChI=1S/C21H30O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h11,15-17,22,25H,3-10,12H2,1-2H3/t15-,16+,17+,19+,20+,21+/m1/s1
chemicalCompound:standardIn...	WHBHBVVOGNECLV-OBQKJFGGSA-N
chemicalCompound:canonicalS...	C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3CC[C@]4(O)C(=O)CO
chemicalCompound:molecularF...	C21H30O4
chemicalCompound:moleculeId	419443
chemicalCompound:mwFreebase	346.461
chemicalCompound:alogp	2.452
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	74.6
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.637
chemicalCompound:acdLogP	2.735
chemicalCompound:acdLogD	2.735
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	346.461
chemicalCompound:chemblId	CHEMBL253144
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:519443
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	CORTEXOLONE
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:28324
chemicalCompound:activity	activity:32449, activity:32450, activity:67292, activity:67293, activity:173402, activity:230749, activity:230750, activity:372020, activity:444637, activity:444638, activity:444639, activity:444640, activity:444641, activity:444642, activity:444643, activity:444644, activity:444645, activity:444646, activity:547369, activity:547370, activity:753556, activity:959967, activity:959968, activity:975593, activity:1056338, activity:1205638, activity:1252962, activity:1504420, activity:2058668, activity:2155700, activity:3229904, activity:3229997, activity:3473240, activity:3488254, activity:3489155, activity:3626891, activity:3665136, activity:3695126, activity:3711561, activity:3879646, activity:3987992, activity:4084680, activity:4278460, activity:4358279, activity:4375334, activity:4535776, activity:4538156, activity:4745838, activity:4807493, activity:4857810, activity:4917899, activity:4966325, activity:4985774, activity:5051043, activity:5345452, activity:5445453, activity:5628782, activity:5746138, activity:5760693, activity:5795986, activity:5838499, activity:5976253