758336

Source:http://linkedlifedata.com/resource/chembl/compound/758336

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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/C19H15N3O4/c23-8-7-20-19(24)12-5-6-13-14(11-12)22-18(16-4-2-10-26-16)17(21-13)15-3-1-9-25-15/h1-6,9-11,23H,7-8H2,(H,20,24)
chemicalCompound:standardIn...	DIJZDJPXWPNEOI-UHFFFAOYSA-N
chemicalCompound:canonicalS...	OCCNC(=O)c1ccc2nc(c3occc3)c(nc2c1)c4occc4
chemicalCompound:molecularF...	C19H15N3O4
chemicalCompound:moleculeId	758336
chemicalCompound:mwFreebase	349.34
chemicalCompound:alogp	2.647
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	101.39
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.512
chemicalCompound:acdLogP	3.329
chemicalCompound:acdLogD	3.329
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	349.34
chemicalCompound:chemblId	CHEMBL1334452
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:858336
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:3716616, activity:3781052, activity:3940939, activity:3966220, activity:3978340, activity:4016927, activity:4027708, activity:4141081, activity:4277779, activity:4306872, activity:4316935, activity:4351573, activity:4356505, activity:4384081, activity:4418507, activity:4484309, activity:4513936, activity:4536517, activity:4541041, activity:4549914, activity:4552828, activity:4606385, activity:4722083, activity:4812195, activity:4848190, activity:5021549, activity:5030897, activity:5386756, activity:5714195, activity:5810986, activity:5961767, activity:6427563, activity:6454359, activity:6611260, activity:6777927, activity:6824658, activity:6842554, activity:6876771, activity:6951485, activity:6991202, activity:7012166, activity:7018466, activity:7055782, activity:7405609, activity:10046349, activity:10423567