355260

Source:http://linkedlifedata.com/resource/chembl/compound/355260

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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/C15H16N4O3/c1-18-7-8-3-2-4-19(8)14-11(18)5-9-12(20)10(15(21)22)6-16-13(9)17-14/h5-6,8H,2-4,7H2,1H3,(H,21,22)(H,16,17,20)/t8-/m0/s1
chemicalCompound:standardIn...	NABODKQCZVJUAC-QMMMGPOBSA-N
chemicalCompound:canonicalS...	CN1C[C@@H]2CCCN2c3nc4ncc(C(=O)O)c(O)c4cc13
chemicalCompound:molecularF...	C15 H16 N4 O3
chemicalCompound:moleculeId	355260
chemicalCompound:mwFreebase	300.313
chemicalCompound:alogp	1
chemicalCompound:hba	7
chemicalCompound:hbd	2
chemicalCompound:psa	89.79
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	6.395
chemicalCompound:acdLogP	0.448
chemicalCompound:acdLogD	-3.019
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	300.313
chemicalCompound:acdMostBpk...	10.827
chemicalCompound:chemblId	CHEMBL213450
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:455260
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:1754862, activity:1754886, activity:1754932, activity:1754959, activity:1754989