744265

Source:http://linkedlifedata.com/resource/chembl/compound/744265

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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/C15H19N5O3S2/c1-10-3-4-13(11(2)7-10)20-15(17-18-19-20)24-8-14(21)16-12-5-6-25(22,23)9-12/h3-4,7,12H,5-6,8-9H2,1-2H3,(H,16,21)
chemicalCompound:standardIn...	VMFDCXFCVWBBCJ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1ccc(c(C)c1)n2nnnc2SCC(=O)NC3CCS(=O)(=O)C3
chemicalCompound:molecularF...	C15H19N5O3S2
chemicalCompound:moleculeId	744265
chemicalCompound:mwFreebase	381.473
chemicalCompound:alogp	1.34
chemicalCompound:hba	7
chemicalCompound:hbd	1
chemicalCompound:psa	140.52
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.448
chemicalCompound:acdLogP	1
chemicalCompound:acdLogD	1
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	381.473
chemicalCompound:acdMostBpk...	0.014
chemicalCompound:chemblId	CHEMBL1320381
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:844265
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:4204126, activity:4702513, activity:5748941, activity:7160428