247188

Source:http://linkedlifedata.com/resource/chembl/compound/247188

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C50H68N2O4/c53-47(55-39-21-19-37-29-45-41-15-5-7-23-49(41,43(37)31-39)25-27-51(45)33-35-11-9-12-35)17-3-1-2-4-18-48(54)56-40-22-20-38-30-46-42-16-6-8-24-50(42,44(38)32-40)26-28-52(46)34-36-13-10-14-36/h19-22,31-32,35-36,41-42,45-46H,1-18,23-30,33-34H2/t41-,42-,45+,46+,49+,50+/m0/s1
chemicalCompound:standardIn...	ZLZOQZBMSGPYPY-UBHOSDFBSA-N
chemicalCompound:canonicalS...	O=C(CCCCCCC(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@@]4(CCN3CC5CCC5)c2c1)Oc6ccc7C[C@H]8[C@H]9CCCC[C@@]9(CCN8CC%10CCC%10)c7c6
chemicalCompound:molecularF...	C50H68N2O4
chemicalCompound:moleculeId	247188
chemicalCompound:mwFreebase	761.086
chemicalCompound:alogp	11.344
chemicalCompound:hba	6
chemicalCompound:hbd	0
chemicalCompound:psa	59.08
chemicalCompound:rtb	15
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	11.246
chemicalCompound:acdLogD	8.741
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	761.086
chemicalCompound:acdMostBpk...	8.94
chemicalCompound:chemblId	CHEMBL405131
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:347188
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:724272, activity:724273, activity:724274, activity:724275, activity:724276, activity:724277, activity:724278, activity:724279, activity:724280, activity:724281, activity:724282, activity:724283