293287

Source:http://linkedlifedata.com/resource/chembl/compound/293287

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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/C20H20N2O2/c1-21-10-6-15(7-11-21)19-17-13-16(20(23)24)5-4-14(17)8-12-22-9-2-3-18(19)22/h2-5,8-9,12-13H,6-7,10-11H2,1H3,(H,23,24)
chemicalCompound:standardIn...	SCWCSJUWIHAFLG-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN1CCC(=C2c3cc(ccc3C=Cn4cccc24)C(=O)O)CC1
chemicalCompound:molecularF...	C20 H20 N2 O2
chemicalCompound:moleculeId	293287
chemicalCompound:mwFreebase	320.385
chemicalCompound:alogp	0.08
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	45.47
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.988
chemicalCompound:acdLogP	5.386
chemicalCompound:acdLogD	2.882
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	320.385
chemicalCompound:acdMostBpk...	9.171
chemicalCompound:chemblId	CHEMBL174649
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:393287
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:1177200, activity:1177201, activity:1177202, activity:1177203, activity:1177204, activity:1177205, activity:1177206