255415

Source:http://linkedlifedata.com/resource/chembl/compound/255415

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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/C24H22ClN5O6/c1-26-20-19-21(29-22(25)28-20)30(15-27-19)12-16(13-33-23(31)35-17-8-4-2-5-9-17)14-34-24(32)36-18-10-6-3-7-11-18/h2-11,15-16H,12-14H2,1H3,(H,26,28,29)
chemicalCompound:standardIn...	KWNUHNYOBRYJKA-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CNc1nc(Cl)nc2c1ncn2CC(COC(=O)Oc3ccccc3)COC(=O)Oc4ccccc4
chemicalCompound:molecularF...	C24 H22 Cl N5 O6
chemicalCompound:moleculeId	255415
chemicalCompound:mwFreebase	511.914
chemicalCompound:alogp	4.878
chemicalCompound:hba	10
chemicalCompound:hbd	1
chemicalCompound:psa	126.69
chemicalCompound:rtb	13
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.72
chemicalCompound:acdLogD	3.72
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	511.914
chemicalCompound:acdMostBpk...	1.524
chemicalCompound:chemblId	CHEMBL154222
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:355415
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:457181