899573

Source:http://linkedlifedata.com/resource/chembl/compound/899573

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/C17H18N4O2/c1-11-17(12(2)23-21-11)14-8-16(20-10-19-14)18-9-13-6-4-5-7-15(13)22-3/h4-8,10H,9H2,1-3H3,(H,18,19,20)
chemicalCompound:standardIn...	JVNHCIDTHFWSPQ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccccc1CNc2cc(ncn2)c3c(C)onc3C
chemicalCompound:molecularF...	C17H18N4O2
chemicalCompound:moleculeId	899573
chemicalCompound:mwFreebase	310.35
chemicalCompound:alogp	2.322
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	73.07
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.079
chemicalCompound:acdLogD	4.079
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	310.35
chemicalCompound:acdMostBpk...	3.876
chemicalCompound:chemblId	CHEMBL1475689
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:999573
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:3648915, activity:3799522, activity:3912003, activity:3984009, activity:4016328, activity:4714964, activity:4949214, activity:4972394, activity:4981952, activity:5078563, activity:5998359, activity:6004140, activity:6005096, activity:6007335, activity:6032774