643590

Source:http://linkedlifedata.com/resource/chembl/compound/643590

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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/C18H20N6O7S/c19-16-13-17(21-8-20-16)24(9-22-13)18-15(27)14(26)11(31-18)7-30-32(28,29)23-12(25)6-10-4-2-1-3-5-10/h1-5,8-9,11,14-15,18,26-27H,6-7H2,(H,23,25)(H2,19,20,21)/t11-,14-,15-,18-/m1/s1
chemicalCompound:standardIn...	XIHQRYUIMDVRRV-XKLVTHTNSA-N
chemicalCompound:canonicalS...	Nc1ncnc2c1ncn2[C@@H]3O[C@H](COS(=O)(=O)NC(=O)Cc4ccccc4)[C@@H](O)[C@H]3O
chemicalCompound:molecularF...	C18H20N6O7S
chemicalCompound:moleculeId	643590
chemicalCompound:mwFreebase	464.452
chemicalCompound:alogp	-1.029
chemicalCompound:hba	11
chemicalCompound:hbd	4
chemicalCompound:psa	200.16
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	2.613
chemicalCompound:acdLogP	0.099
chemicalCompound:acdLogD	-1.9
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	464.452
chemicalCompound:acdMostBpk...	3.823
chemicalCompound:chemblId	CHEMBL1162051
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:743590
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:2003202, activity:2003232, activity:2003262