223990

Source:http://linkedlifedata.com/resource/chembl/compound/223990

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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/C30H27N5O3/c1-21-26(35-28(37)25-27(33-29(35)32-21)34(19-31-25)20-38-18-17-36)30(22-11-5-2-6-12-22,23-13-7-3-8-14-23)24-15-9-4-10-16-24/h2-16,19,36-37H,17-18,20H2,1H3
chemicalCompound:standardIn...	DGBINXRGXKIUPT-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1nc2nc3c(ncn3COCCO)c(O)n2c1C(c4ccccc4)(c5ccccc5)c6ccccc6
chemicalCompound:molecularF...	C30 H27 N5 O3
chemicalCompound:moleculeId	223990
chemicalCompound:mwFreebase	505.567
chemicalCompound:alogp	4.923
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	97.7
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	-4.444
chemicalCompound:acdLogP	1.877
chemicalCompound:acdLogD	-0.638
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	505.567
chemicalCompound:acdMostBpk...	9.486
chemicalCompound:chemblId	CHEMBL137854
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:323990
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:1085708, activity:1085709, activity:1085710, activity:1085711, activity:1085712, activity:1085713, activity:1085714, activity:1085715, activity:1085716, activity:1085717, activity:1085718