197211

Source:http://linkedlifedata.com/resource/chembl/compound/197211

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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/C18H18N2O4/c1-19-18(21)20(22)11-13-9-14-10-16(7-8-17(14)23-12-13)24-15-5-3-2-4-6-15/h2-10,22H,11-12H2,1H3,(H,19,21)
chemicalCompound:standardIn...	ADEXLPGNFPLCCW-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CNC(=O)N(O)CC1=Cc2cc(Oc3ccccc3)ccc2OC1
chemicalCompound:molecularF...	C18 H18 N2 O4
chemicalCompound:moleculeId	197211
chemicalCompound:mwFreebase	326.347
chemicalCompound:alogp	2.691
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	71.03
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.529
chemicalCompound:acdLogP	3.533
chemicalCompound:acdLogD	3.531
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	326.347
chemicalCompound:chemblId	CHEMBL118929
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:297211
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:266704, activity:266705, activity:266706, activity:266707, activity:266708, activity:266709