793211

Source:http://linkedlifedata.com/resource/chembl/compound/793211

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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/C26H29N3O3/c1-19(2)20-10-12-22(13-11-20)27-25(30)24(21-7-4-3-5-8-21)28-14-16-29(17-15-28)26(31)23-9-6-18-32-23/h3-13,18-19,24H,14-17H2,1-2H3,(H,27,30)
chemicalCompound:standardIn...	HQTMNPFEMVNHON-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)c1ccc(NC(=O)C(N2CCN(CC2)C(=O)c3occc3)c4ccccc4)cc1
chemicalCompound:molecularF...	C26H29N3O3
chemicalCompound:moleculeId	793211
chemicalCompound:mwFreebase	431.527
chemicalCompound:alogp	4.146
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	65.79
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.932
chemicalCompound:acdLogP	5.184
chemicalCompound:acdLogD	5.184
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	431.527
chemicalCompound:acdMostBpk...	4.37
chemicalCompound:chemblId	CHEMBL1369327
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:893211
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:3736838, activity:4132947, activity:4207827, activity:4429937, activity:4443990, activity:4540602, activity:4727482, activity:4746164, activity:4904612, activity:5803556, activity:6559186, activity:6767345, activity:7143300, activity:7243849, activity:7429261