1150555

Source:http://linkedlifedata.com/resource/chembl/compound/1150555

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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:1153403
chemicalCompound:standardIn...	InChI=1S/C10H13N3.C6H10O8/c1(9-3-4-11-5-9)2-10-6-12-8-13-7-10;7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-2,6-9,11H,3-5H2;1-4,7-10H,(H,11,12)(H,13,14)/b2-1+;/t9-;1-,2+,3+,4-/m1./s1
chemicalCompound:standardIn...	TYDDHVISFUTKNL-UWJWMRJMSA-N
chemicalCompound:canonicalS...	O[C@H]([C@H](O)[C@@H](O)C(=O)O)[C@H](O)C(=O)O.C1C[C@H](CN1)\C=C\c2cncnc2
chemicalCompound:molecularF...	C16H23N3O8
chemicalCompound:moleculeId	1150555
chemicalCompound:mwFreebase	175.23
chemicalCompound:alogp	0.285
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	37.81
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	0.849
chemicalCompound:acdLogD	-1.465
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	385.369
chemicalCompound:acdMostBpk...	9.844
chemicalCompound:chemblId	CHEMBL1783884
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1250555
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:6227850, activity:6227862, activity:6227874, activity:6227884, activity:6227896, activity:6227906, activity:6227918, activity:6227934, activity:6227946, activity:6227956, activity:6227965