265266

Source:http://linkedlifedata.com/resource/chembl/compound/265266

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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/C17H17N5O7S2/c1-6(2)16(27)29-4-7-5-30-14-10(13(24)22(14)11(7)15(25)26)20-12(23)9(21-28)8-3-19-17(18)31-8/h3,10,14,28H,1,4-5H2,2H3,(H2,18,19)(H,20,23)(H,25,26)/b21-9-/t10-,14-/m1/s1
chemicalCompound:standardIn...	CSZWPKKCIAHVRH-ZSDSSEDPSA-N
chemicalCompound:canonicalS...	CC(=C)C(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)\C(=N/O)\c3cnc(N)s3)C2=O)C(=O)O
chemicalCompound:molecularF...	C17 H17 N5 O7 S2
chemicalCompound:moleculeId	265266
chemicalCompound:mwFreebase	467.476
chemicalCompound:alogp	0.058
chemicalCompound:hba	11
chemicalCompound:hbd	4
chemicalCompound:psa	238.05
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	2.53
chemicalCompound:acdLogP	-2.64
chemicalCompound:acdLogD	-6.366
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	467.476
chemicalCompound:acdMostBpk...	2.954
chemicalCompound:chemblId	CHEMBL352157
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:365266
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:166755, activity:166756, activity:166757, activity:166758, activity:166759, activity:166760, activity:166761, activity:166762, activity:166763, activity:166764, activity:166765, activity:166766, activity:166767, activity:166768, activity:166769, activity:166770, activity:166771, activity:166772, activity:166773, activity:166774, activity:166775