1275581

Source:http://linkedlifedata.com/resource/chembl/compound/1275581

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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/C26H22N6O4S/c33-24(17-32-26(35)22-8-4-5-9-23(22)37-32)27-14-19-15-31(30-29-19)16-25(34)28-18-10-12-21(13-11-18)36-20-6-2-1-3-7-20/h1-13,15H,14,16-17H2,(H,27,33)(H,28,34)
chemicalCompound:standardIn...	LRBARRLJWWJDNY-UHFFFAOYSA-N
chemicalCompound:canonicalS...	O=C(CN1Sc2ccccc2C1=O)NCc3cn(CC(=O)Nc4ccc(Oc5ccccc5)cc4)nn3
chemicalCompound:molecularF...	C26H22N6O4S
chemicalCompound:moleculeId	1275581
chemicalCompound:mwFreebase	514.556
chemicalCompound:alogp	2.818
chemicalCompound:hba	7
chemicalCompound:hbd	2
chemicalCompound:psa	143.75
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.488
chemicalCompound:acdLogP	4.398
chemicalCompound:acdLogD	4.397
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	514.556
chemicalCompound:acdMostBpk...	0.685
chemicalCompound:chemblId	CHEMBL1940724
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1375581
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:8001604, activity:8001615, activity:8001622, activity:8001629