24726

Source:http://linkedlifedata.com/resource/chembl/compound/24726

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/C22H17N5O/c28-21(16-6-2-1-3-7-16)25-18-9-4-10-19(14-18)26-22-24-13-11-20(27-22)17-8-5-12-23-15-17/h1-15H,(H,25,28)(H,24,26,27)
chemicalCompound:standardIn...	ZVXCXEJBPDCMRL-UHFFFAOYSA-N
chemicalCompound:canonicalS...	O=C(Nc1cccc(Nc2nccc(n2)c3cccnc3)c1)c4ccccc4
chemicalCompound:molecularF...	C22 H17 N5 O
chemicalCompound:moleculeId	24726
chemicalCompound:mwFreebase	367.403
chemicalCompound:alogp	3.066
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	79.8
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.15
chemicalCompound:acdLogP	3.356
chemicalCompound:acdLogD	3.356
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	367.403
chemicalCompound:acdMostBpk...	2.697
chemicalCompound:chemblId	CHEMBL277931
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:124726
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:886643, activity:886644, activity:886645, activity:886646, activity:886647, activity:886648, activity:913909, activity:913910, activity:913911, activity:913912, activity:913913, activity:913914, activity:913915, activity:1614820, activity:1614821, activity:1614822, activity:1614823