238573

Source:http://linkedlifedata.com/resource/chembl/compound/238573

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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/C23H22N4O4/c28-12-17-19(29)20(30)23(31-17)27-11-16(14-7-3-1-4-8-14)18-21(24-13-25-22(18)27)26-15-9-5-2-6-10-15/h1-11,13,17,19-20,23,28-30H,12H2,(H,24,25,26)/t17-,19+,20+,23+/m0/s1
chemicalCompound:standardIn...	QUTCTTBGQRFQRQ-JEBQKTDQSA-N
chemicalCompound:canonicalS...	OC[C@@H]1O[C@H]([C@H](O)[C@@H]1O)n2cc(c3ccccc3)c4c(Nc5ccccc5)ncnc24
chemicalCompound:molecularF...	C23 H22 N4 O4
chemicalCompound:moleculeId	238573
chemicalCompound:mwFreebase	418.445
chemicalCompound:alogp	2.075
chemicalCompound:hba	7
chemicalCompound:hbd	4
chemicalCompound:psa	112.66
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.395
chemicalCompound:acdLogP	5.203
chemicalCompound:acdLogD	5.199
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	418.445
chemicalCompound:acdMostBpk...	5.402
chemicalCompound:chemblId	CHEMBL343247
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:338573
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:673851, activity:673852, activity:1612799, activity:1612800