326358

Source:http://linkedlifedata.com/resource/chembl/compound/326358

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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/C19H19N5O5S/c1-29-19(28)22-8-7-15(25)23-12-4-2-3-11(9-12)5-6-13-10-14(16(20)26)17(30-13)24-18(21)27/h2-4,9-10H,7-8H2,1H3,(H2,20,26)(H,22,28)(H,23,25)(H3,21,24,27)
chemicalCompound:standardIn...	SBYYFZLSQVOESG-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COC(=O)NCCC(=O)Nc1cccc(c1)C#Cc2cc(C(=O)N)c(NC(=O)N)s2
chemicalCompound:molecularF...	C19 H19 N5 O5 S
chemicalCompound:moleculeId	326358
chemicalCompound:mwFreebase	429.45
chemicalCompound:alogp	1
chemicalCompound:hba	5
chemicalCompound:hbd	5
chemicalCompound:psa	193.88
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.983
chemicalCompound:acdLogP	3.282
chemicalCompound:acdLogD	3.281
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	429.45
chemicalCompound:chemblId	CHEMBL196659
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:426358
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:1522792