74023

Source:http://linkedlifedata.com/resource/chembl/compound/74023

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:19871
chemicalCompound:standardIn...	InChI=1S/C6H12N2O3.C2HF3O2/c1-3(7)5(9)8-4(2)6(10)11;3-2(4,5)1(6)7/h3-4H,7H2,1-2H3,(H,8,9)(H,10,11);(H,6,7)/t3-,4-;/m0./s1
chemicalCompound:standardIn...	AAYHSAYVLVQUQZ-MMALYQPHSA-N
chemicalCompound:canonicalS...	C[C@H](N)C(=O)N[C@@H](C)C(=O)O.OC(=O)C(F)(F)F
chemicalCompound:molecularF...	C8H13F3N2O5
chemicalCompound:moleculeId	74023
chemicalCompound:mwFreebase	160.171
chemicalCompound:alogp	-3.617
chemicalCompound:hba	4
chemicalCompound:hbd	3
chemicalCompound:psa	92.42
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.165
chemicalCompound:acdLogP	-1.584
chemicalCompound:acdLogD	-4.16
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	274.194
chemicalCompound:acdMostBpk...	8.658
chemicalCompound:chemblId	CHEMBL48524
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:174023
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:1019532, activity:1019533, activity:1019534, activity:1019535, activity:1019536, activity:1019537, activity:1019538, activity:1019539, activity:1019540, activity:1019541, activity:1019542, activity:1019543, activity:1019544, activity:1019545, activity:1019546, activity:1019547