1275587

Source:http://linkedlifedata.com/resource/chembl/compound/1275587

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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/C26H21N5O4S/c32-23(18-7-2-1-3-8-18)15-30-14-20(28-29-30)17-35-21-10-6-9-19(13-21)27-25(33)16-31-26(34)22-11-4-5-12-24(22)36-31/h1-14H,15-17H2,(H,27,33)
chemicalCompound:standardIn...	CQTOZFHHLVAUKO-UHFFFAOYSA-N
chemicalCompound:canonicalS...	O=C(CN1Sc2ccccc2C1=O)Nc3cccc(OCc4cn(CC(=O)c5ccccc5)nn4)c3
chemicalCompound:molecularF...	C26H21N5O4S
chemicalCompound:moleculeId	1275587
chemicalCompound:mwFreebase	499.541
chemicalCompound:alogp	3.438
chemicalCompound:hba	7
chemicalCompound:hbd	1
chemicalCompound:psa	131.72
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.068
chemicalCompound:acdLogP	4.199
chemicalCompound:acdLogD	4.199
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	499.541
chemicalCompound:chemblId	CHEMBL1940730
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1375587
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:8001610, activity:8001616, activity:8001624, activity:8001630