197401

Source:http://linkedlifedata.com/resource/chembl/compound/197401

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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/C17H18N2O4/c18-17(20)19(21)10-12-8-13-9-15(6-7-16(13)22-11-12)23-14-4-2-1-3-5-14/h1-7,9,12,21H,8,10-11H2,(H2,18,20)
chemicalCompound:standardIn...	VYHCNJDGKCKCIJ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	NC(=O)N(O)CC1COc2ccc(Oc3ccccc3)cc2C1
chemicalCompound:molecularF...	C17 H18 N2 O4
chemicalCompound:moleculeId	197401
chemicalCompound:mwFreebase	314.336
chemicalCompound:alogp	2.538
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	85.02
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.204
chemicalCompound:acdLogP	4.138
chemicalCompound:acdLogD	4.136
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	314.336
chemicalCompound:chemblId	CHEMBL422430
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:297401
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:269226, activity:269227, activity:269228, activity:269229, activity:269230, activity:269231