34061

Source:http://linkedlifedata.com/resource/chembl/compound/34061

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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/C17H21N3O2/c21-16-19-12-17(22-16)6-9-20(10-7-17)8-5-13-11-18-15-4-2-1-3-14(13)15/h1-4,11,18H,5-10,12H2,(H,19,21)
chemicalCompound:standardIn...	RAZDWOMOWLCHDD-UHFFFAOYSA-N
chemicalCompound:canonicalS...	O=C1NCC2(CCN(CCc3c[nH]c4ccccc34)CC2)O1
chemicalCompound:molecularF...	C17 H21 N3 O2
chemicalCompound:moleculeId	34061
chemicalCompound:mwFreebase	299.368
chemicalCompound:alogp	2
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	57.36
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.446
chemicalCompound:acdLogP	0.791
chemicalCompound:acdLogD	-1.185
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	299.368
chemicalCompound:acdMostBpk...	9.441
chemicalCompound:chemblId	CHEMBL25591
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:134061
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:35571, activity:35572, activity:35573, activity:35574, activity:35575, activity:35576, activity:35577, activity:35578, activity:35579, activity:35580, activity:35581, activity:35582, activity:35583, activity:35584, activity:35585, activity:35586, activity:35587, activity:35588, activity:35589, activity:35590