1100694

Source:http://linkedlifedata.com/resource/chembl/compound/1100694

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:1119117
chemicalCompound:standardIn...	InChI=1S/C17H23N5O3S2.C2H2O4/c1-2-7-22-16(19-20-17(22)26-12-6-18)14-4-3-5-15(13-14)27(23,24)21-8-10-25-11-9-21;3-1(4)2(5)6/h2-5,13H,1,6-12,18H2;(H,3,4)(H,5,6)
chemicalCompound:standardIn...	VGPOSJGKULXAJZ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	NCCSc1nnc(c2cccc(c2)S(=O)(=O)N3CCOCC3)n1CC=C.OC(=O)C(=O)O
chemicalCompound:molecularF...	C19H25N5O7S2
chemicalCompound:moleculeId	1100694
chemicalCompound:mwFreebase	409.526
chemicalCompound:alogp	1
chemicalCompound:hba	7
chemicalCompound:hbd	1
chemicalCompound:psa	137.01
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.028
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	499.561
chemicalCompound:acdMostBpk...	8.099
chemicalCompound:chemblId	CHEMBL1719963
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1200694
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:5375750, activity:6752991, activity:7276455, activity:7534245