224222

Source:http://linkedlifedata.com/resource/chembl/compound/224222

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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/C36H31N5O4/c1-44-29-18-16-27(17-19-29)31-33(41-35(43)32-34(39-36(41)38-31)40(22-37-32)23-45-21-20-42)28-14-12-26(13-15-28)30(24-8-4-2-5-9-24)25-10-6-3-7-11-25/h2-19,22,30,42-43H,20-21,23H2,1H3
chemicalCompound:standardIn...	LOSXLSRBUYTDOX-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccc(cc1)c2nc3nc4c(ncn4COCCO)c(O)n3c2c5ccc(cc5)C(c6ccccc6)c7ccccc7
chemicalCompound:molecularF...	C36 H31 N5 O4
chemicalCompound:moleculeId	224222
chemicalCompound:mwFreebase	597.662
chemicalCompound:alogp	6.851
chemicalCompound:hba	7
chemicalCompound:hbd	2
chemicalCompound:psa	106.93
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	-0.712
chemicalCompound:acdLogP	4.935
chemicalCompound:acdLogD	1.915
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	597.662
chemicalCompound:acdMostBpk...	7.219
chemicalCompound:chemblId	CHEMBL335450
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:324222
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:1091204, activity:1091205, activity:1091206, activity:1091207, activity:1091208, activity:1091209, activity:1091210, activity:1091211, activity:1091212, activity:1091213, activity:1091214