44837

Source:http://linkedlifedata.com/resource/chembl/compound/44837

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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/C23H25N3O3/c27-19-15-25-12-4-3-9-18(25)22-21(19)16-7-1-2-8-17(16)26(22)13-6-11-24-23(28)20-10-5-14-29-20/h1-2,5,7-8,10,14,18H,3-4,6,9,11-13,15H2,(H,24,28)
chemicalCompound:standardIn...	QCCCTOUYTJLRDK-UHFFFAOYSA-N
chemicalCompound:canonicalS...	O=C(NCCCn1c2C3CCCCN3CC(=O)c2c4ccccc14)c5occc5
chemicalCompound:molecularF...	C23 H25 N3 O3
chemicalCompound:moleculeId	44837
chemicalCompound:mwFreebase	391.463
chemicalCompound:alogp	3.273
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	67.48
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3
chemicalCompound:acdLogD	2.86
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	391.463
chemicalCompound:acdMostBpk...	6.983
chemicalCompound:chemblId	CHEMBL33450
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:144837
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:31887, activity:31888