1122968

Source:http://linkedlifedata.com/resource/chembl/compound/1122968

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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:6205
chemicalCompound:standardIn...	InChI=1S/C33H41NO3.C4H6O6/c1-35-27-14-13-24-18-26-25-19-32(15-6-5-10-22-8-3-2-4-9-22)21-36-30(32)31-33(25,28(24)29(27)37-31)16-17-34(26)20-23-11-7-12-23;5-1(3(7)8)2(6)4(9)10/h2-4,8-9,13-14,23,25-26,30-31H,5-7,10-12,15-21H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t25?,26?,30-,31?,32-,33?;1-,2-/m10/s1
chemicalCompound:standardIn...	KVOKUFVZYUMXCU-TWJNTKCSSA-N
chemicalCompound:canonicalS...	COc1ccc2CC3C4C[C@]5(CCCCc6ccccc6)CO[C@@H]5C7Oc1c2C47CCN3CC8CCC8.O[C@@H]([C@H](O)C(=O)O)C(=O)O
chemicalCompound:molecularF...	C37H47NO9
chemicalCompound:moleculeId	1122968
chemicalCompound:mwFreebase	499.684
chemicalCompound:alogp	6.349
chemicalCompound:hba	4
chemicalCompound:hbd	0
chemicalCompound:psa	30.93
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	5.285
chemicalCompound:acdLogD	4.15
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	649.77
chemicalCompound:acdMostBpk...	8.506
chemicalCompound:chemblId	CHEMBL1744397
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1222968
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:558137