1010364

Source:http://linkedlifedata.com/resource/chembl/compound/1010364

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/C22H19N3O/c26-21(15-25-16-23-19-13-7-8-14-20(19)25)24-22(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-14,16,22H,15H2,(H,24,26)
chemicalCompound:standardIn...	OZHSHJIUIMWVGI-UHFFFAOYSA-N
chemicalCompound:canonicalS...	O=C(Cn1cnc2ccccc12)NC(c3ccccc3)c4ccccc4
chemicalCompound:molecularF...	C22H19N3O
chemicalCompound:moleculeId	1010364
chemicalCompound:mwFreebase	341.406
chemicalCompound:alogp	3.806
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	46.92
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.135
chemicalCompound:acdLogD	4.135
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	341.406
chemicalCompound:acdMostBpk...	4.35
chemicalCompound:chemblId	CHEMBL1586480
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1110364
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:4630733, activity:5987493, activity:6006390, activity:6064823, activity:6065761, activity:6068754, activity:6683070, activity:6929244, activity:7078624