405355

Source:http://linkedlifedata.com/resource/chembl/compound/405355

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/C19H19N3O2/c1-2-4-16(5-3-1)24-17-8-6-15(7-9-17)18-14-19(21-20-18)22-10-12-23-13-11-22/h1-9,14H,10-13H2,(H,20,21)
chemicalCompound:standardIn...	WQWBZRVAFAMASC-UHFFFAOYSA-N
chemicalCompound:canonicalS...	C1CN(CCO1)c2cc(n[nH]2)c3ccc(Oc4ccccc4)cc3
chemicalCompound:molecularF...	C19 H19 N3 O2
chemicalCompound:moleculeId	405355
chemicalCompound:mwFreebase	321.373
chemicalCompound:alogp	3.755
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	50.38
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.643
chemicalCompound:acdLogD	4.638
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	321.373
chemicalCompound:acdMostBpk...	5.445
chemicalCompound:chemblId	CHEMBL241634
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:505355
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:2000310, activity:2000326, activity:2000342, activity:2000358, activity:2000374, activity:2000390