649689

Source:http://linkedlifedata.com/resource/chembl/compound/649689

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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:673883
chemicalCompound:standardIn...	InChI=1S/C23H25N3O2.C2H2O4/c1-24-17-26(19-7-3-2-4-8-19)23(22(24)27)11-13-25(14-12-23)15-18-16-28-21-10-6-5-9-20(18)21;3-1(4)2(5)6/h2-10,16H,11-15,17H2,1H3;(H,3,4)(H,5,6)
chemicalCompound:standardIn...	FOWVNXKPUJRXEJ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN1CN(c2ccccc2)C3(CCN(Cc4coc5ccccc45)CC3)C1=O.OC(=O)C(=O)O
chemicalCompound:molecularF...	C25H27N3O6
chemicalCompound:moleculeId	649689
chemicalCompound:mwFreebase	375.464
chemicalCompound:alogp	3.126
chemicalCompound:hba	3
chemicalCompound:hbd	0
chemicalCompound:psa	39.93
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.906
chemicalCompound:acdLogD	3.026
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	465.498
chemicalCompound:acdMostBpk...	8.261
chemicalCompound:chemblId	CHEMBL1169896
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:749689
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:3361300, activity:3361329, activity:3361727, activity:3361756, activity:3361785, activity:3361820