121265

Source:http://linkedlifedata.com/resource/chembl/compound/121265

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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:293568
chemicalCompound:standardIn...	InChI=1S/C19H20N2.C2H2O4/c1-20-12-8-16(9-13-20)19-17-6-3-2-5-15(17)10-14-21-11-4-7-18(19)21;3-1(4)2(5)6/h2-7,10-11,14H,8-9,12-13H2,1H3;(H,3,4)(H,5,6)
chemicalCompound:standardIn...	PGYXCMAHBAZUQQ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN1CCC(=C2c3ccccc3C=Cn4cccc24)CC1.OC(=O)C(=O)O
chemicalCompound:molecularF...	C19 H20 N2 . C2 H2 O4
chemicalCompound:moleculeId	121265
chemicalCompound:mwFreebase	276.375
chemicalCompound:alogp	3.485
chemicalCompound:hba	1
chemicalCompound:hbd	0
chemicalCompound:psa	8.17
chemicalCompound:rtb	0
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	5.129
chemicalCompound:acdLogD	3.482
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	366.41
chemicalCompound:acdMostBpk...	9.053
chemicalCompound:chemblId	CHEMBL76238
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:221265
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:77495, activity:77496, activity:77497, activity:77498, activity:77499, activity:77500, activity:77501, activity:77502, activity:77503, activity:77504, activity:77505, activity:77506