1122961

Source:http://linkedlifedata.com/resource/chembl/compound/1122961

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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:6118
chemicalCompound:standardIn...	InChI=1S/C32H39NO3.C4H6O6/c1-34-26-13-12-23-17-25-24-18-31(14-6-11-21-7-3-2-4-8-21)20-35-29(31)30-32(24,27(23)28(26)36-30)15-16-33(25)19-22-9-5-10-22;5-1(3(7)8)2(6)4(9)10/h2-4,7-8,12-13,22,24-25,29-30H,5-6,9-11,14-20H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t24?,25?,29-,30?,31-,32?;1-,2-/m10/s1
chemicalCompound:standardIn...	HYURZYCFFQZADM-PWERZUSVSA-N
chemicalCompound:canonicalS...	COc1ccc2CC3C4C[C@]5(CCCc6ccccc6)CO[C@@H]5C7Oc1c2C47CCN3CC8CCC8.O[C@@H]([C@H](O)C(=O)O)C(=O)O
chemicalCompound:molecularF...	C36H45NO9
chemicalCompound:moleculeId	1122961
chemicalCompound:mwFreebase	485.657
chemicalCompound:alogp	5.893
chemicalCompound:hba	4
chemicalCompound:hbd	0
chemicalCompound:psa	30.93
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.776
chemicalCompound:acdLogD	3.649
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	635.744
chemicalCompound:acdMostBpk...	8.498
chemicalCompound:chemblId	CHEMBL1744390
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1222961
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:574975