795011

Source:http://linkedlifedata.com/resource/chembl/compound/795011

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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/C6H7ClN2O4/c7-4-3(13-9-5(4)10)1-2(8)6(11)12/h2H,1,8H2,(H,9,10)(H,11,12)/t2-/m1/s1
chemicalCompound:standardIn...	FDSXCQTXUSQQFH-UWTATZPHSA-N
chemicalCompound:canonicalS...	N[C@H](Cc1onc(O)c1Cl)C(=O)O
chemicalCompound:molecularF...	C6H7ClN2O4
chemicalCompound:moleculeId	795011
chemicalCompound:mwFreebase	206.584
chemicalCompound:alogp	-2.185
chemicalCompound:hba	5
chemicalCompound:hbd	3
chemicalCompound:psa	109.58
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	1.891
chemicalCompound:acdLogP	-0.598
chemicalCompound:acdLogD	-3.901
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	206.584
chemicalCompound:acdMostBpk...	8.036
chemicalCompound:chemblId	CHEMBL1371127
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:895011
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:3615603, activity:4005916, activity:4363363, activity:4867919, activity:4965853, activity:5987114, activity:5996818, activity:6016614, activity:6060537, activity:6070603