65898

Source:http://linkedlifedata.com/resource/chembl/compound/65898

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:65898_Canrenone_INN
chemicalCompound:standardIn...	InChI=1S/C22H28O3/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21)12-8-19(24)25-22/h3-4,13,16-18H,5-12H2,1-2H3/t16?,17?,18?,20?,21?,22-/m1/s1
chemicalCompound:standardIn...	UJVLDDZCTMKXJK-RSPKNDIPSA-N
chemicalCompound:canonicalS...	CC12CCC(=O)C=C1C=CC3C2CCC4(C)C3CC[C@@]45CCC(=O)O5
chemicalCompound:molecularF...	C22 H28 O3
chemicalCompound:moleculeId	65898
chemicalCompound:mwFreebase	340.456
chemicalCompound:alogp	3.519
chemicalCompound:hba	3
chemicalCompound:hbd	0
chemicalCompound:psa	43.37
chemicalCompound:rtb	0
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.509
chemicalCompound:acdLogD	3.509
chemicalCompound:fullMwt	340.456
chemicalCompound:chemblId	CHEMBL42874
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:165898
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	CANRENONE
chemicalCompound:activity	activity:40461, activity:40462, activity:40463, activity:40464, activity:40465, activity:40466, activity:40467, activity:40468, activity:40469, activity:630603, activity:630604