793507

Source:http://linkedlifedata.com/resource/chembl/compound/793507

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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/C17H16N2O/c1-11-6-3-4-7-13(11)18-16-10-12(2)17-14(19-16)8-5-9-15(17)20/h3-10,20H,1-2H3,(H,18,19)
chemicalCompound:standardIn...	CGGSTYDVWWUILD-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1ccccc1Nc2cc(C)c3c(O)cccc3n2
chemicalCompound:molecularF...	C17H16N2O
chemicalCompound:moleculeId	793507
chemicalCompound:mwFreebase	264.322
chemicalCompound:alogp	4.835
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	45.15
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.763
chemicalCompound:acdLogP	4.186
chemicalCompound:acdLogD	4.148
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	264.322
chemicalCompound:acdMostBpk...	5.185
chemicalCompound:chemblId	CHEMBL1369623
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:893507
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:3636643, activity:3738392, activity:3958220, activity:4009869, activity:4069790, activity:4127471, activity:4302571, activity:4404487, activity:4434028, activity:4463159, activity:4678577, activity:4686495, activity:4714198, activity:4785651, activity:4815693, activity:4851978, activity:4914007, activity:4988739, activity:5018789, activity:5019834, activity:5368152, activity:5552919, activity:5711111, activity:5791963, activity:6827313, activity:6999788, activity:7147398, activity:7425653, activity:7498453