433316

Source:http://linkedlifedata.com/resource/chembl/compound/433316

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:433316_A-796260_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C22H30N2O2/c1-21(2)20(22(21,3)4)19(25)17-15-24(18-8-6-5-7-16(17)18)10-9-23-11-13-26-14-12-23/h5-8,15,20H,9-14H2,1-4H3
chemicalCompound:standardIn...	ZCFHOMLAFTWDFM-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC1(C)C(C(=O)c2cn(CCN3CCOCC3)c4ccccc24)C1(C)C
chemicalCompound:molecularF...	C22H30N2O2
chemicalCompound:moleculeId	433316
chemicalCompound:mwFreebase	354.486
chemicalCompound:alogp	3.569
chemicalCompound:hba	3
chemicalCompound:hbd	0
chemicalCompound:psa	34.47
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.891
chemicalCompound:acdLogD	4.725
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	354.486
chemicalCompound:acdMostBpk...	7.069
chemicalCompound:chemblId	CHEMBL262865
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:533316
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:2118248, activity:2118249, activity:2118354, activity:2118355, activity:2118432, activity:2118485, activity:2118523, activity:2118542, activity:2133390, activity:2133391, activity:2251138, activity:2251139, activity:2251140, activity:2980468, activity:2980539, activity:2980608, activity:2981683, activity:2981740, activity:2981801, activity:2981858, activity:2981863, activity:2981868, activity:2981873, activity:2981878, activity:2981882, activity:2981886, activity:2981891, activity:2981898, activity:2981930, activity:2981931, activity:5205232, activity:5205333, activity:5205805, activity:6381659