1141475

Source:http://linkedlifedata.com/resource/chembl/compound/1141475

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/C27H23N5O2/c1-18-7-6-10-24(29-18)27-22(19-11-12-23-21(15-19)25(34-2)13-14-28-23)16-32(31-27)17-26(33)30-20-8-4-3-5-9-20/h3-16H,17H2,1-2H3,(H,30,33)
chemicalCompound:standardIn...	LNUASTFNUJTEQI-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccnc2ccc(cc12)c3cn(CC(=O)Nc4ccccc4)nc3c5cccc(C)n5
chemicalCompound:molecularF...	C27H23N5O2
chemicalCompound:moleculeId	1141475
chemicalCompound:mwFreebase	449.504
chemicalCompound:alogp	4.311
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	81.93
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.404
chemicalCompound:acdLogP	5.26
chemicalCompound:acdLogD	5.249
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	449.504
chemicalCompound:acdMostBpk...	5.73
chemicalCompound:chemblId	CHEMBL1766442
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1241475
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:6168235, activity:6168878, activity:6168908