84886

Source:http://linkedlifedata.com/resource/chembl/compound/84886

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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/C23H20N6O6S2/c24-23-25-14(10-37-23)15(27-35)18(30)26-16-20(32)29-17(22(33)34)12(9-36-21(16)29)8-11-6-7-28(19(11)31)13-4-2-1-3-5-13/h1-5,8,10,16,21,35H,6-7,9H2,(H2,24,25)(H,26,30)(H,33,34)/b11-8+,27-15-/t16-,21-/m1/s1
chemicalCompound:standardIn...	CZPAHBKCAZZRQU-VGAAYPCBSA-N
chemicalCompound:canonicalS...	Nc1nc(cs1)\C(=N\O)\C(=O)N[C@H]2[C@H]3SCC(=C(N3C2=O)C(=O)O)\C=C\4/CCN(C4=O)c5ccccc5
chemicalCompound:molecularF...	C23 H20 N6 O6 S2
chemicalCompound:moleculeId	84886
chemicalCompound:mwFreebase	540.571
chemicalCompound:alogp	0.77
chemicalCompound:hba	10
chemicalCompound:hbd	4
chemicalCompound:psa	232.05
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	2.476
chemicalCompound:acdLogP	-0.963
chemicalCompound:acdLogD	-4.977
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	540.571
chemicalCompound:acdMostBpk...	2.027
chemicalCompound:chemblId	CHEMBL56619
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:184886
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:146448, activity:146449, activity:146450, activity:146451, activity:146452, activity:146453, activity:146454, activity:146455, activity:146456