213500

Source:http://linkedlifedata.com/resource/chembl/compound/213500

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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/C17H17N5O5S/c1-11-7-9-18-16(19-11)21-28(25,26)14-5-3-13(4-6-14)20-22-17(12(2)23)8-10-27-15(17)24/h3-7,9H,8,10H2,1-2H3,(H,18,19,21)/b22-20+
chemicalCompound:standardIn...	QVALLBLMUZACOI-LSDHQDQOSA-N
chemicalCompound:canonicalS...	CC(=O)C1(CCOC1=O)N=Nc2ccc(cc2)S(=O)(=O)Nc3nccc(C)n3
chemicalCompound:molecularF...	C17 H17 N5 O5 S
chemicalCompound:moleculeId	213500
chemicalCompound:mwFreebase	403.412
chemicalCompound:alogp	1.617
chemicalCompound:hba	9
chemicalCompound:hbd	1
chemicalCompound:psa	148.41
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	5.766
chemicalCompound:acdLogP	-0.661
chemicalCompound:acdLogD	-2.149
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	403.412
chemicalCompound:chemblId	CHEMBL421450
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:313500
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:613394, activity:613395, activity:866093, activity:866094