348889

Source:http://linkedlifedata.com/resource/chembl/compound/348889

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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/C18H21N3O4/c19-14(17(23)21-15(18(24)25)7-8-16(20)22)10-11-5-6-12-3-1-2-4-13(12)9-11/h1-6,9,14-15H,7-8,10,19H2,(H2,20,22)(H,21,23)(H,24,25)/t14-,15-/m0/s1
chemicalCompound:standardIn...	VSZVSSYQFUFEQG-GJZGRUSLSA-N
chemicalCompound:canonicalS...	N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCC(=O)N)C(=O)O
chemicalCompound:molecularF...	C18 H21 N3 O4
chemicalCompound:moleculeId	348889
chemicalCompound:mwFreebase	343.377
chemicalCompound:alogp	-2.078
chemicalCompound:hba	5
chemicalCompound:hbd	4
chemicalCompound:psa	135.51
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.065
chemicalCompound:acdLogP	0.481
chemicalCompound:acdLogD	-2.531
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	343.377
chemicalCompound:acdMostBpk...	7.359
chemicalCompound:chemblId	CHEMBL208519
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:448889
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:1721380, activity:1721387