1095335

Source:http://linkedlifedata.com/resource/chembl/compound/1095335

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:1119149
chemicalCompound:standardIn...	InChI=1S/C22H30N2O3.ClH/c1-17-8-9-20(14-18(17)2)27-16-19(25)15-23-10-12-24(13-11-23)21-6-4-5-7-22(21)26-3;/h4-9,14,19,25H,10-13,15-16H2,1-3H3;1H
chemicalCompound:standardIn...	NCFYQDQGMSPASJ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.COc1ccccc1N2CCN(CC(O)COc3ccc(C)c(C)c3)CC2
chemicalCompound:molecularF...	C22H31ClN2O3
chemicalCompound:moleculeId	1095335
chemicalCompound:mwFreebase	370.485
chemicalCompound:alogp	4.027
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	45.17
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.015
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	406.946
chemicalCompound:acdMostBpk...	6.972
chemicalCompound:chemblId	CHEMBL1714604
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1195335
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:5362766, activity:5846949, activity:7214175, activity:7431186