41159

Source:http://linkedlifedata.com/resource/chembl/compound/41159

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C27H24N2O10/c1-35-21-5-12(6-22(36-2)26(21)31)23-14-8-19-20(39-11-38-19)9-15(14)25(16-10-37-27(32)24(16)23)28-17-7-13(29(33)34)3-4-18(17)30/h3-9,16,23-25,28,30-31H,10-11H2,1-2H3/t16-,23+,24-,25+/m0/s1
chemicalCompound:standardIn...	ZYUFVVMRWQDFFL-ZAJAUZIHSA-N
chemicalCompound:canonicalS...	COc1cc(cc(OC)c1O)[C@H]2[C@@H]3[C@H](COC3=O)[C@H](Nc4cc(ccc4O)[N+](=O)[O-])c5cc6OCOc6cc25
chemicalCompound:molecularF...	C27 H24 N2 O10
chemicalCompound:moleculeId	41159
chemicalCompound:mwFreebase	536.487
chemicalCompound:alogp	3.535
chemicalCompound:hba	11
chemicalCompound:hbd	3
chemicalCompound:psa	161.52
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	6.617
chemicalCompound:acdLogP	4.084
chemicalCompound:acdLogD	3.486
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	536.487
chemicalCompound:acdMostBpk...	1
chemicalCompound:chemblId	CHEMBL280569
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:141159
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:307635, activity:585722, activity:585723, activity:585724, activity:1053539