852954

Source:http://linkedlifedata.com/resource/chembl/compound/852954

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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/C10H7N5OS/c11-4-1-2-5-6(3-4)13-8-7(12-5)9(16)15-10(17)14-8/h1-3H,11H2,(H2,13,14,15,16,17)
chemicalCompound:standardIn...	KHHHKNMMGYDLJU-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Nc1ccc2nc3c(O)nc(S)nc3nc2c1
chemicalCompound:molecularF...	C10H7N5OS
chemicalCompound:moleculeId	852954
chemicalCompound:mwFreebase	245.26
chemicalCompound:alogp	1.907
chemicalCompound:hba	7
chemicalCompound:hbd	3
chemicalCompound:psa	136.61
chemicalCompound:rtb	0
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	-4.092
chemicalCompound:acdLogP	1.538
chemicalCompound:acdLogD	-1.963
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	245.26
chemicalCompound:acdMostBpk...	11.204
chemicalCompound:chemblId	CHEMBL1429070
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:952954
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:3606282, activity:3606731, activity:3633818, activity:3697618, activity:3746297, activity:3776728, activity:3784444, activity:3909837, activity:3931751, activity:3960991, activity:4016035, activity:4083263, activity:4273574, activity:4299437, activity:4315289, activity:4357223, activity:4364708, activity:4377063, activity:4494486, activity:4529545, activity:4588211, activity:4590855, activity:4598435, activity:4677429, activity:4779212, activity:4853102, activity:4872171, activity:4941887, activity:5022269, activity:5348595, activity:5501895, activity:5513604, activity:5521008, activity:5563121, activity:5567605, activity:5569023, activity:5569203, activity:5573743, activity:5639326, activity:5656879, activity:5699170, activity:5788854, activity:5793855, activity:5853197, activity:5865796, activity:5976088, activity:6425728, activity:6452551, activity:6516640, activity:6558954, activity:6584788, activity:6606730, activity:6732779, activity:6820638, activity:6879644, activity:6901778, activity:6974369, activity:7037099, activity:7121842, activity:7401454, activity:9196909, activity:10423278, activity:10555985