606510

Source:http://linkedlifedata.com/resource/chembl/compound/606510

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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/C11H13BrN4O5/c12-3-1-16(6-5(3)9(13)14-15-10(6)20)11-8(19)7(18)4(2-17)21-11/h1,4,7-8,11,17-19H,2H2,(H2,13,14)(H,15,20)/t4-,7-,8-,11?/m1/s1
chemicalCompound:standardIn...	ATWFHNRKSLRLLA-DXNVRMHDSA-N
chemicalCompound:canonicalS...	Nc1nnc(O)c2c1c(Br)cn2C3O[C@H](CO)[C@@H](O)[C@H]3O
chemicalCompound:molecularF...	C11H13BrN4O5
chemicalCompound:moleculeId	606510
chemicalCompound:mwFreebase	361.149
chemicalCompound:alogp	-0.096
chemicalCompound:hba	8
chemicalCompound:hbd	5
chemicalCompound:psa	146.88
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	1.866
chemicalCompound:acdLogP	-0.59
chemicalCompound:acdLogD	-3.09
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	361.149
chemicalCompound:acdMostBpk...	12.513
chemicalCompound:chemblId	CHEMBL609506
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:706510
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:694504, activity:694505, activity:694506, activity:694507, activity:694508, activity:694509, activity:694510, activity:694511, activity:694512, activity:694513, activity:694514