1304740

Source:http://linkedlifedata.com/resource/chembl/compound/1304740

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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/C18H17N3O2/c1-11-3-4-13(9-12(11)2)10-20-15-16(18(23)17(15)22)21-14-5-7-19-8-6-14/h3-9,20H,10H2,1-2H3,(H,19,21)
chemicalCompound:standardIn...	SOVYWBOZOBVFLP-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1ccc(CNC2=C(Nc3ccncc3)C(=O)C2=O)cc1C
chemicalCompound:molecularF...	C18H17N3O2
chemicalCompound:moleculeId	1304740
chemicalCompound:mwFreebase	307.346
chemicalCompound:alogp	1.95
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	71.09
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	1.44
chemicalCompound:acdLogD	1.365
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	307.346
chemicalCompound:acdMostBpk...	6.628
chemicalCompound:chemblId	CHEMBL1983449
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1404740
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:9507454, activity:9519383, activity:9520199, activity:9520465, activity:9520694, activity:9523727, activity:9528964, activity:9532564, activity:9532796, activity:9533261, activity:9535957, activity:9536214, activity:9536488, activity:9539853, activity:9544780, activity:9545016, activity:9545353, activity:9549306, activity:9552143, activity:9552720, activity:9557260, activity:9557652, activity:9557794, activity:9560818, activity:9561024, activity:9565298, activity:9565697, activity:9568765, activity:9570279, activity:9572138, activity:9573428, activity:9574773, activity:9575137, activity:9575498, activity:9576144, activity:9577121, activity:9578168, activity:9578355, activity:9579594, activity:9580087, activity:9581652, activity:9582689, activity:9583087, activity:9583640, activity:9584132, activity:9584507, activity:9584879, activity:9586636, activity:9587479, activity:9589230, activity:9593477, activity:9594421, activity:9594748, activity:9595200, activity:9595547, activity:9596319, activity:9597649, activity:9597718, activity:9598804, activity:9599907, activity:9600515, activity:9601239, activity:9601890, activity:9602912, activity:9606326, activity:9606528, activity:9607580