209822

Source:http://linkedlifedata.com/resource/chembl/compound/209822

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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:4181
chemicalCompound:standardIn...	InChI=1S/C23H27N3O3.C2H2O4/c1-29-21-11-5-4-10-20(21)25-16-14-24(15-17-25)12-6-7-13-26-22(27)18-8-2-3-9-19(18)23(26)28;3-1(4)2(5)6/h2-5,8-11H,6-7,12-17H2,1H3;(H,3,4)(H,5,6)
chemicalCompound:standardIn...	FJEULEYUVHBLOR-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccccc1N2CCN(CCCCN3C(=O)c4ccccc4C3=O)CC2.OC(=O)C(=O)O
chemicalCompound:molecularF...	C23 H27 N3 O3 . C2 H2 O4
chemicalCompound:moleculeId	209822
chemicalCompound:mwFreebase	393.479
chemicalCompound:alogp	3.256
chemicalCompound:hba	5
chemicalCompound:hbd	0
chemicalCompound:psa	53.09
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.138
chemicalCompound:acdLogD	2.703
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	483.514
chemicalCompound:acdMostBpk...	7.889
chemicalCompound:chemblId	CHEMBL126632
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:309822
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:565795, activity:565796, activity:565797