1287544

Source:http://linkedlifedata.com/resource/chembl/compound/1287544

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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/C5H8ClNO4/c6-2(1-3(8)9)4(7)5(10)11/h2,4H,1,7H2,(H,8,9)(H,10,11)/t2-,4-/m0/s1
chemicalCompound:standardIn...	QAAAJCNONHZRTG-OKKQSCSOSA-N
chemicalCompound:canonicalS...	N[C@@H]([C@@H](Cl)CC(=O)O)C(=O)O
chemicalCompound:molecularF...	C5H8ClNO4
chemicalCompound:moleculeId	1287544
chemicalCompound:mwFreebase	181.574
chemicalCompound:alogp	-3.086
chemicalCompound:hba	5
chemicalCompound:hbd	3
chemicalCompound:psa	100.61
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	1.761
chemicalCompound:acdLogP	-0.349
chemicalCompound:acdLogD	-3.971
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	181.574
chemicalCompound:acdMostBpk...	8.174
chemicalCompound:chemblId	CHEMBL1966253
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1387544
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:8245352, activity:8314201, activity:8366445, activity:8400142, activity:8420326, activity:8506260, activity:8519681, activity:8571794, activity:8596406, activity:8677483, activity:8723431, activity:8768023, activity:8770621, activity:8804645, activity:8903249, activity:8923834, activity:8966801, activity:9042661, activity:9071663, activity:9097051, activity:9168384, activity:9183909, activity:9232227, activity:9287514, activity:9336469, activity:9356037, activity:9359426, activity:9366421, activity:9439109, activity:9446113, activity:9647777, activity:9687378, activity:9701362, activity:9711807, activity:9791762, activity:9858620, activity:9887604, activity:9921277, activity:9959186, activity:10080618, activity:10101241, activity:10108709, activity:10168002, activity:10212861, activity:10245535, activity:10321971, activity:10368331, activity:10438190, activity:10493820, activity:10506138, activity:10567901, activity:10591080, activity:10617319, activity:10667316, activity:10700053, activity:10720204, activity:10793030, activity:10820372