572465

Source:http://linkedlifedata.com/resource/chembl/compound/572465

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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/C25H29N2O9P/c1-26-12-11-25-10-9-20(15-22(25)34-24-21(32-2)8-3-17(16-26)23(24)25)36-37(31,33-14-13-28)35-19-6-4-18(5-7-19)27(29)30/h3-10,20,22,28H,11-16H2,1-2H3/t20-,22-,25-,37?/m0/s1
chemicalCompound:standardIn...	KPPVPGHKOBVLQY-RQIOINNGSA-N
chemicalCompound:canonicalS...	COc1ccc2CN(C)CC[C@@]34C=C[C@@H](C[C@@H]3Oc1c24)OP(=O)(OCCO)Oc5ccc(cc5)[N+](=O)[O-]
chemicalCompound:molecularF...	C25H29N2O9P
chemicalCompound:moleculeId	572465
chemicalCompound:mwFreebase	532.479
chemicalCompound:alogp	2.567
chemicalCompound:hba	10
chemicalCompound:hbd	1
chemicalCompound:psa	142.32
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	13.714
chemicalCompound:acdLogP	1.208
chemicalCompound:acdLogD	0.735
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	532.479
chemicalCompound:acdMostBpk...	7.693
chemicalCompound:chemblId	CHEMBL575898
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:672465
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:2946032, activity:2946045, activity:2946058, activity:2946071, activity:2946116, activity:2946117, activity:2946118, activity:2946119, activity:2946151, activity:2946165, activity:2946179, activity:2946193, activity:2946231, activity:2946232, activity:2946233, activity:2946234, activity:2946263, activity:2946277, activity:2946291, activity:2947272