201790

Source:http://linkedlifedata.com/resource/chembl/compound/201790

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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/C18H15N5O5S/c1-12-9-10-19-18(20-12)22-29(27,28)16-7-5-14(6-8-16)21-17(24)13-3-2-4-15(11-13)23(25)26/h2-11H,1H3,(H,21,24)(H,19,20,22)
chemicalCompound:standardIn...	PBXSVUOHSYXTOG-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(c3)[N+](=O)[O-])cc2)n1
chemicalCompound:molecularF...	C18 H15 N5 O5 S
chemicalCompound:moleculeId	201790
chemicalCompound:mwFreebase	413.407
chemicalCompound:alogp	2.021
chemicalCompound:hba	7
chemicalCompound:hbd	2
chemicalCompound:psa	155.25
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	6.565
chemicalCompound:acdLogP	0.785
chemicalCompound:acdLogD	0.029
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	413.407
chemicalCompound:acdMostBpk...	0.293
chemicalCompound:chemblId	CHEMBL332972
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:301790
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:397461