112803

Source:http://linkedlifedata.com/resource/chembl/compound/112803

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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:112803_BMS-262084_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C18H31N7O5/c1-18(2,3)22-16(29)23-7-9-24(10-8-23)17(30)25-12(14(27)28)11(13(25)26)5-4-6-21-15(19)20/h11-12H,4-10H2,1-3H3,(H,22,29)(H,27,28)(H4,19,20,21)/t11-,12+/m1/s1
chemicalCompound:standardIn...	MFTQITSPGQORDA-NEPJUHHUSA-N
chemicalCompound:canonicalS...	CC(C)(C)NC(=O)N1CCN(CC1)C(=O)N2[C@@H]([C@@H](CCCN=C(N)N)C2=O)C(=O)O
chemicalCompound:molecularF...	C18 H31 N7 O5
chemicalCompound:moleculeId	112803
chemicalCompound:mwFreebase	425.483
chemicalCompound:alogp	-1.014
chemicalCompound:hba	8
chemicalCompound:hbd	4
chemicalCompound:psa	174.65
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	2.933
chemicalCompound:acdLogP	-1.235
chemicalCompound:acdLogD	-3.734
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	425.483
chemicalCompound:acdMostBpk...	13.389
chemicalCompound:chemblId	CHEMBL71037
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:212803
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:296169, activity:296170, activity:296171, activity:296172, activity:296173, activity:296174, activity:296175, activity:296176, activity:660236, activity:660237, activity:660238, activity:660239, activity:660240, activity:660241, activity:660242, activity:660243, activity:660244, activity:1014086, activity:1100064, activity:1100065, activity:1100066, activity:1100067, activity:1100068, activity:1100069, activity:1100070, activity:1100071, activity:1100072, activity:1100073, activity:1100074, activity:1100075, activity:1100076, activity:5111710