731308

Source:http://linkedlifedata.com/resource/chembl/compound/731308

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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/C22H23N5O4S2/c23-16-17(20(24)28)26-33-19(16)22(30)27(13-6-2-1-3-7-13)18(15-9-5-11-32-15)21(29)25-12-14-8-4-10-31-14/h1-3,5-7,9,11,14,18H,4,8,10,12,23H2,(H2,24,28)(H,25,29)
chemicalCompound:standardIn...	CQBKQTNTHHFVDQ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	NC(=O)c1nsc(C(=O)N(C(C(=O)NCC2CCCO2)c3cccs3)c4ccccc4)c1N
chemicalCompound:molecularF...	C22H23N5O4S2
chemicalCompound:moleculeId	731308
chemicalCompound:mwFreebase	485.579
chemicalCompound:alogp	1.899
chemicalCompound:hba	6
chemicalCompound:hbd	3
chemicalCompound:psa	197.12
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.349
chemicalCompound:acdLogP	2.524
chemicalCompound:acdLogD	2.524
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	485.579
chemicalCompound:chemblId	CHEMBL1307424
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:831308
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:3723974, activity:4180176, activity:4576923, activity:5777809, activity:5898217, activity:6549914, activity:6839214, activity:7341940, activity:7520492