321377

Source:http://linkedlifedata.com/resource/chembl/compound/321377

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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/C17H19N7O4S/c1-8-9(2)29-17-21-14(10(23(8)17)7-20-22-16(18)19)13-11(27-3)5-6-12(28-4)15(13)24(25)26/h5-7H,1-4H3,(H4,18,19,22)/b20-7+
chemicalCompound:standardIn...	IDBVFXKGPLYNAH-IFRROFPPSA-N
chemicalCompound:canonicalS...	COc1ccc(OC)c(c1c2nc3sc(C)c(C)n3c2\C=N\NC(=N)N)[N+](=O)[O-]
chemicalCompound:molecularF...	C17H19N7O4S
chemicalCompound:moleculeId	321377
chemicalCompound:mwFreebase	417.442
chemicalCompound:alogp	2
chemicalCompound:hba	7
chemicalCompound:hbd	3
chemicalCompound:psa	184.08
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	0.762
chemicalCompound:acdLogD	0.141
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	417.442
chemicalCompound:acdMostBpk...	7.866
chemicalCompound:chemblId	CHEMBL193142
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:421377
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:1505058, activity:1505059, activity:1505060