744308

Source:http://linkedlifedata.com/resource/chembl/compound/744308

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C14H12N4O/c1-10(19)16-12-5-3-11(4-6-12)13-9-18-8-2-7-15-14(18)17-13/h2-9H,1H3,(H,16,19)
chemicalCompound:standardIn...	NMDMYKMTJOZMEE-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(=O)Nc1ccc(cc1)c2cn3cccnc3n2
chemicalCompound:molecularF...	C14H12N4O
chemicalCompound:moleculeId	744308
chemicalCompound:mwFreebase	252.271
chemicalCompound:alogp	1.252
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	59.29
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.31
chemicalCompound:acdLogD	1.308
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	252.271
chemicalCompound:acdMostBpk...	4.896
chemicalCompound:chemblId	CHEMBL1320424
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:844308
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:3686391, activity:3703445, activity:3823051, activity:3856251, activity:3875590, activity:3974743, activity:4017697, activity:4123241, activity:4203805, activity:4326599, activity:4400804, activity:4459033, activity:4548714, activity:4716207, activity:4800076, activity:4820832, activity:4845306, activity:4976682, activity:4999086, activity:5017371, activity:5336725, activity:5472208, activity:5526357, activity:5547955, activity:5670747, activity:5931081, activity:5997874, activity:6042259, activity:6055337, activity:6057218, activity:6058005, activity:6592024, activity:6824054, activity:6861727, activity:6952717, activity:7168047, activity:7422818, activity:7558675