213448

Source:http://linkedlifedata.com/resource/chembl/compound/213448

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C15H15N5O5S2/c1-9(21)15(7-8-25-13(15)22)20-17-11-3-5-12(6-4-11)27(23,24)19-14-18-16-10(2)26-14/h3-6H,7-8H2,1-2H3,(H,18,19)/b20-17+
chemicalCompound:standardIn...	SEQHLNPJWFZWSM-LVZFUZTISA-N
chemicalCompound:canonicalS...	CC(=O)C1(CCOC1=O)N=Nc2ccc(cc2)S(=O)(=O)Nc3nnc(C)s3
chemicalCompound:molecularF...	C15 H15 N5 O5 S2
chemicalCompound:moleculeId	213448
chemicalCompound:mwFreebase	409.44
chemicalCompound:alogp	1.326
chemicalCompound:hba	9
chemicalCompound:hbd	1
chemicalCompound:psa	176.65
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	5.814
chemicalCompound:acdLogP	0.939
chemicalCompound:acdLogD	-0.288
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	409.44
chemicalCompound:chemblId	CHEMBL341067
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:313448
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:603629, activity:603630, activity:887264, activity:887265