1294831

Source:http://linkedlifedata.com/resource/chembl/compound/1294831

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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/C21H15N5O3S2/c27-21-15(19-16(25-21)8-9-17-20(19)30-12-24-17)11-23-13-4-6-14(7-5-13)31(28,29)26-18-3-1-2-10-22-18/h1-12,23H,(H,22,26)(H,25,27)
chemicalCompound:standardIn...	GCYXEGSPUDSZJY-UHFFFAOYSA-N
chemicalCompound:canonicalS...	O=C1Nc2ccc3ncsc3c2/C/1=C/Nc4ccc(cc4)S(=O)(=O)Nc5ccccn5
chemicalCompound:molecularF...	C21H15N5O3S2
chemicalCompound:moleculeId	1294831
chemicalCompound:mwFreebase	449.505
chemicalCompound:alogp	2.032
chemicalCompound:hba	6
chemicalCompound:hbd	3
chemicalCompound:psa	149.69
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	8.338
chemicalCompound:acdLogP	1.875
chemicalCompound:acdLogD	1.828
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	449.505
chemicalCompound:acdMostBpk...	2.177
chemicalCompound:chemblId	CHEMBL1973540
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1394831
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:9506954, activity:9507496, activity:9508395, activity:9512286, activity:9512566, activity:9515604, activity:9523740, activity:9524523, activity:9524758, activity:9527705, activity:9528247, activity:9528976, activity:9532245, activity:9536497, activity:9537188, activity:9540428, activity:9540768, activity:9541083, activity:9544107, activity:9549633, activity:9552731, activity:9553092, activity:9553473, activity:9557007, activity:9561490, activity:9562069, activity:9564996, activity:9565877, activity:9571634, activity:9572565, activity:9572749, activity:9574301, activity:9574375, activity:9575511, activity:9576921, activity:9577393, activity:9578777, activity:9579119, activity:9579691, activity:9580053, activity:9580097, activity:9580953, activity:9582411, activity:9585795, activity:9586961, activity:9587199, activity:9588830, activity:9590209, activity:9591232, activity:9591373, activity:9592036, activity:9593812, activity:9594287, activity:9594759, activity:9595329, activity:9596615, activity:9596881, activity:9597380, activity:9599081, activity:9600754, activity:9600994, activity:9602039, activity:9603168, activity:9603536, activity:9605170, activity:9605374