460719

Source:http://linkedlifedata.com/resource/chembl/compound/460719

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:460719_NSC-343727_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C17H24N2O5/c1-4-11(2)14(16(21)22)19-15(20)12(3)18-17(23)24-10-13-8-6-5-7-9-13/h5-9,11-12,14H,4,10H2,1-3H3,(H,18,23)(H,19,20)(H,21,22)/t11-,12-,14-/m0/s1
chemicalCompound:standardIn...	RKKAECASDDATIR-OBJOEFQTSA-N
chemicalCompound:canonicalS...	CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)O
chemicalCompound:molecularF...	C17H24N2O5
chemicalCompound:moleculeId	460719
chemicalCompound:mwFreebase	336.383
chemicalCompound:alogp	2.409
chemicalCompound:hba	5
chemicalCompound:hbd	3
chemicalCompound:psa	104.73
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.492
chemicalCompound:acdLogP	2.835
chemicalCompound:acdLogD	-0.782
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	336.383
chemicalCompound:chemblId	CHEMBL523135
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:560719
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:2513205, activity:2513232, activity:2513250