707879

Source:http://linkedlifedata.com/resource/chembl/compound/707879

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:707879_ASPORYZIN B_TRADE_NAME
chemicalCompound:standardIn...	InChI=1S/C27H35NO3/c1-16(2)13-18-15-26(4)21-10-9-17-14-27(30)19-7-5-6-8-20(19)28(27)24(29)23(17)25(21,3)12-11-22(26)31-18/h5-8,13,17-18,21-23,30H,9-12,14-15H2,1-4H3/t17-,18-,21+,22-,23+,25-,26-,27?/m0/s1
chemicalCompound:standardIn...	QJYILEDZEZVBBD-IPYQKNEASA-N
chemicalCompound:canonicalS...	CC(=C[C@H]1C[C@]2(C)[C@H](CC[C@@]3(C)[C@H]2CC[C@H]4CC5(O)N(C(=O)[C@H]34)c6ccccc56)O1)C
chemicalCompound:molecularF...	C27H35NO3
chemicalCompound:moleculeId	707879
chemicalCompound:mwFreebase	421.572
chemicalCompound:alogp	4.354
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	49.77
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.123
chemicalCompound:acdLogP	5.353
chemicalCompound:acdLogD	5.353
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	421.572
chemicalCompound:chemblId	CHEMBL1258865
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:807879
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	ASPORYZIN B
chemicalCompound:activity	activity:3499278, activity:3499284, activity:3499296, activity:3499303, activity:3499309