75167

Source:http://linkedlifedata.com/resource/chembl/compound/75167

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:75167_HOE-33258_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C25H24N6O/c1-30-10-12-31(13-11-30)18-5-9-21-23(15-18)29-25(27-21)17-4-8-20-22(14-17)28-24(26-20)16-2-6-19(32)7-3-16/h2-9,14-15,32H,10-13H2,1H3,(H,26,28)(H,27,29)
chemicalCompound:standardIn...	INAAIJLSXJJHOZ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN1CCN(CC1)c2ccc3nc([nH]c3c2)c4ccc5nc([nH]c5c4)c6ccc(O)cc6
chemicalCompound:molecularF...	C25H24N6O
chemicalCompound:moleculeId	75167
chemicalCompound:mwFreebase	424.498
chemicalCompound:alogp	4.588
chemicalCompound:hba	5
chemicalCompound:hbd	3
chemicalCompound:psa	84.07
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.229
chemicalCompound:acdLogP	1.251
chemicalCompound:acdLogD	0.721
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	424.498
chemicalCompound:acdMostBpk...	7.719
chemicalCompound:chemblId	CHEMBL301735
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:175167
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:52082
chemicalCompound:activity	activity:67421, activity:205140, activity:205141, activity:205142, activity:205143, activity:248477, activity:248478, activity:248479, activity:248480, activity:248481, activity:463135, activity:463136, activity:605303, activity:708083, activity:708084, activity:708085, activity:708086, activity:708087, activity:833915, activity:833916, activity:833917, activity:833918, activity:1159365, activity:1159366, activity:1159367, activity:1159368, activity:1159369, activity:1159370, activity:1303020, activity:1303021, activity:1303022, activity:1303023, activity:1303024, activity:1450600, activity:1450601, activity:1842162, activity:2283774, activity:2609843, activity:2609855, activity:2609857, activity:2609859, activity:2609861, activity:2609863, activity:2609865, activity:2609867, activity:3227553, activity:3265820, activity:3265821, activity:3447816, activity:3557911, activity:3557920, activity:3557934, activity:3557947, activity:3558006, activity:3558007, activity:3558008, activity:3558009, activity:3558010, activity:3558011, activity:3558012, activity:3558013, activity:3558014, activity:3558015, activity:3558016