1304215

Source:http://linkedlifedata.com/resource/chembl/compound/1304215

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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/C21H17N3O2/c1-26-17-9-5-8-15(10-17)21(25)24-16-11-18-19(13-23-20(18)22-12-16)14-6-3-2-4-7-14/h2-13H,1H3,(H,22,23)(H,24,25)
chemicalCompound:standardIn...	PQNWNVWJXPSZFR-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1cccc(c1)C(=O)Nc2cnc3[nH]cc(c4ccccc4)c3c2
chemicalCompound:molecularF...	C21H17N3O2
chemicalCompound:moleculeId	1304215
chemicalCompound:mwFreebase	343.379
chemicalCompound:alogp	3.458
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	67.01
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.307
chemicalCompound:acdLogP	2.671
chemicalCompound:acdLogD	2.671
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	343.379
chemicalCompound:acdMostBpk...	3.929
chemicalCompound:chemblId	CHEMBL1982924
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1404215
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:9507427, activity:9519335, activity:9519938, activity:9520162, activity:9520434, activity:9520656, activity:9523684, activity:9524020, activity:9525015, activity:9532530, activity:9532750, activity:9532867, activity:9533233, activity:9535930, activity:9536189, activity:9536444, activity:9539827, activity:9544729, activity:9544991, activity:9545320, activity:9548208, activity:9549281, activity:9552472, activity:9552674, activity:9557232, activity:9557618, activity:9557761, activity:9560988, activity:9561350, activity:9565660, activity:9568730, activity:9570131, activity:9570251, activity:9572101, activity:9574729, activity:9575100, activity:9575458, activity:9576117, activity:9576462, activity:9577580, activity:9578125, activity:9578317, activity:9579555, activity:9581616, activity:9582654, activity:9583058, activity:9583599, activity:9583886, activity:9584087, activity:9584474, activity:9584846, activity:9586588, activity:9589055, activity:9589188, activity:9589948, activity:9591945, activity:9592254, activity:9593347, activity:9593448, activity:9594101, activity:9594377, activity:9594699, activity:9595170, activity:9595964, activity:9596288, activity:9597615