676337

Source:http://linkedlifedata.com/resource/chembl/compound/676337

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:5804
chemicalCompound:standardIn...	InChI=1S/C32H39NO3.ClH/c1-31(15-7-6-10-21-8-4-3-5-9-21)19-24-25-18-23-13-14-26(35-2)28-27(23)32(24,30(36-28)29(31)34)16-17-33(25)20-22-11-12-22;/h3-5,8-9,13-14,22,24-25,30H,6-7,10-12,15-20H2,1-2H3;1H/t24?,25?,30?,31-,32?;/m1./s1
chemicalCompound:standardIn...	INRBVLUCKKVYSG-QIKBAPIISA-N
chemicalCompound:canonicalS...	Cl.COc1ccc2CC3C4C[C@@](C)(CCCCc5ccccc5)C(=O)C6Oc1c2C46CCN3CC7CC7
chemicalCompound:molecularF...	C32H40ClNO3
chemicalCompound:moleculeId	676337
chemicalCompound:mwFreebase	485.657
chemicalCompound:alogp	6.497
chemicalCompound:hba	4
chemicalCompound:hbd	0
chemicalCompound:psa	38.76
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	7.415
chemicalCompound:acdLogD	6.329
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	522.118
chemicalCompound:acdMostBpk...	8.454
chemicalCompound:chemblId	CHEMBL1202386
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:776337
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:activity	activity:556952