781949

Source:http://linkedlifedata.com/resource/chembl/compound/781949

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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/C18H23N5O2/c1-21(2)11-7-10-19-15-12-8-5-6-9-13(12)22(3)16-14(15)17(24)23(4)18(25)20-16/h5-6,8-9,19H,7,10-11H2,1-4H3
chemicalCompound:standardIn...	LNRUPMPQQGPSQT-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN(C)CCCNC1=C2C(=O)N(C)C(=O)N=C2N(C)c3ccccc13
chemicalCompound:molecularF...	C18H23N5O2
chemicalCompound:moleculeId	781949
chemicalCompound:mwFreebase	341.408
chemicalCompound:alogp	0.719
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	68.25
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	0.792
chemicalCompound:acdLogD	-1.351
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	341.408
chemicalCompound:acdMostBpk...	9.542
chemicalCompound:chemblId	CHEMBL1358065
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:881949
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:4126817, activity:4520228, activity:4634536, activity:4711897, activity:4898016, activity:6000471, activity:6020655, activity:6055134, activity:6066769, activity:6069929