213394

Source:http://linkedlifedata.com/resource/chembl/compound/213394

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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/C19H17N7O3S2/c1-12-17(18(27)26(24-12)15-6-4-3-5-7-15)22-21-14-8-10-16(11-9-14)31(28,29)25-19-23-20-13(2)30-19/h3-11,17H,1-2H3,(H,23,25)/b22-21+
chemicalCompound:standardIn...	YELXRFXLPAPXNK-QURGRASLSA-N
chemicalCompound:canonicalS...	CC1=NN(C(=O)C1N=Nc2ccc(cc2)S(=O)(=O)Nc3nnc(C)s3)c4ccccc4
chemicalCompound:molecularF...	C19 H17 N7 O3 S2
chemicalCompound:moleculeId	213394
chemicalCompound:mwFreebase	455.513
chemicalCompound:alogp	2.674
chemicalCompound:hba	8
chemicalCompound:hbd	1
chemicalCompound:psa	165.95
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	5.712
chemicalCompound:acdLogP	2.194
chemicalCompound:acdLogD	0.907
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	455.513
chemicalCompound:acdMostBpk...	1.219
chemicalCompound:chemblId	CHEMBL127388
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:313394
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:624820, activity:624821, activity:884686, activity:884687