912177

Source:http://linkedlifedata.com/resource/chembl/compound/912177

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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/C18H17N7O3S/c1-23-15-14(16(27)24(2)18(23)28)25(10-19-15)9-12(26)20-17-22-21-13(29-17)8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,20,22,26)
chemicalCompound:standardIn...	NFVDAPRJXLKSKO-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN1C(=O)N(C)c2ncn(CC(=O)Nc3nnc(Cc4ccccc4)s3)c2C1=O
chemicalCompound:molecularF...	C18H17N7O3S
chemicalCompound:moleculeId	912177
chemicalCompound:mwFreebase	411.438
chemicalCompound:alogp	0.97
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	141.56
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.234
chemicalCompound:acdLogP	1.007
chemicalCompound:acdLogD	1
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	411.438
chemicalCompound:acdMostBpk...	0.3
chemicalCompound:chemblId	CHEMBL1488293
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1012177
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:3689944, activity:4636756