625571

Source:http://linkedlifedata.com/resource/chembl/compound/625571

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C23H26N4O2/c1-2-26-14-6-9-19(16-26)27-21-11-4-3-10-20(21)24-23(27)18-8-5-7-17(15-18)12-13-22(28)25-29/h3-5,7-8,10-13,15,19,29H,2,6,9,14,16H2,1H3,(H,25,28)/b13-12+/t19-/m1/s1
chemicalCompound:standardIn...	RILOBLOUHFZQRQ-JXOMPUQVSA-N
chemicalCompound:canonicalS...	CCN1CCC[C@H](C1)n2c(nc3ccccc23)c4cccc(\C=C\C(=O)NO)c4
chemicalCompound:molecularF...	C23H26N4O2
chemicalCompound:moleculeId	625571
chemicalCompound:mwFreebase	390.478
chemicalCompound:alogp	3.936
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	70.39
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	8.697
chemicalCompound:acdLogP	2.471
chemicalCompound:acdLogD	1
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	390.478
chemicalCompound:acdMostBpk...	8.858
chemicalCompound:chemblId	CHEMBL1095765
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:725571
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:3285436, activity:3285483, activity:3285530, activity:3285577, activity:3286270, activity:3286317