302342

Source:http://linkedlifedata.com/resource/chembl/compound/302342

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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/C24H20N4O4S/c1-15-7-6-8-16(13-15)14-25-28-19-11-4-2-9-17(19)22(29)21(24(28)30)23-26-18-10-3-5-12-20(18)33(31,32)27-23/h2-13,25,29H,14H2,1H3,(H,26,27)
chemicalCompound:standardIn...	XYPINRYSRDRAER-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1cccc(CNN2C(=O)C(=C(O)c3ccccc23)C4=NS(=O)(=O)c5ccccc5N4)c1
chemicalCompound:molecularF...	C24 H20 N4 O4 S
chemicalCompound:moleculeId	302342
chemicalCompound:mwFreebase	460.505
chemicalCompound:alogp	2.179
chemicalCompound:hba	7
chemicalCompound:hbd	3
chemicalCompound:psa	119.48
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.5
chemicalCompound:acdLogP	3.671
chemicalCompound:acdLogD	1
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	460.505
chemicalCompound:chemblId	CHEMBL180346
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:402342
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:1427035, activity:1427036, activity:1988503, activity:1988513, activity:8060914, activity:8060945