224769

Source:http://linkedlifedata.com/resource/chembl/compound/224769

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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/C18H22N2O2/c21-12-15(20-18(22)13-6-2-1-3-7-13)10-14-11-19-17-9-5-4-8-16(14)17/h4-5,8-9,11-13,15,19H,1-3,6-7,10H2,(H,20,22)/t15-/m0/s1
chemicalCompound:standardIn...	JBUOTMSLPJQXBQ-HNNXBMFYSA-N
chemicalCompound:canonicalS...	O=C[C@H](Cc1c[nH]c2ccccc12)NC(=O)C3CCCCC3
chemicalCompound:molecularF...	C18 H22 N2 O2
chemicalCompound:moleculeId	224769
chemicalCompound:mwFreebase	298.379
chemicalCompound:alogp	3.337
chemicalCompound:hba	2
chemicalCompound:hbd	2
chemicalCompound:psa	61.96
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.538
chemicalCompound:acdLogD	2.538
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	298.379
chemicalCompound:chemblId	CHEMBL335942
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:324769
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:305551, activity:305552, activity:305553