1122949

Source:http://linkedlifedata.com/resource/chembl/compound/1122949

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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:5927
chemicalCompound:standardIn...	InChI=1S/C28H33NO3.C4H6O6/c1-29-14-13-28-20-16-27(12-6-9-18-7-4-3-5-8-18)17-31-25(27)26(28)32-24-22(30-2)11-10-19(23(24)28)15-21(20)29;5-1(3(7)8)2(6)4(9)10/h3-5,7-8,10-11,20-21,25-26H,6,9,12-17H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)/t20?,21?,25-,26?,27-,28?;1-,2-/m10/s1
chemicalCompound:standardIn...	SCBXJLNXBMCOHT-XLQSCLCBSA-N
chemicalCompound:canonicalS...	COc1ccc2CC3C4C[C@]5(CCCc6ccccc6)CO[C@@H]5C7Oc1c2C47CCN3C.O[C@@H]([C@H](O)C(=O)O)C(=O)O
chemicalCompound:molecularF...	C32H39NO9
chemicalCompound:moleculeId	1122949
chemicalCompound:mwFreebase	431.566
chemicalCompound:alogp	4.617
chemicalCompound:hba	4
chemicalCompound:hbd	0
chemicalCompound:psa	30.93
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.348
chemicalCompound:acdLogD	2.088
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	581.653
chemicalCompound:acdMostBpk...	8.642
chemicalCompound:chemblId	CHEMBL1744378
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1222949
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:555772