354765

Source:http://linkedlifedata.com/resource/chembl/compound/354765

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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/C14H13N3O5/c18-7-1-6-5-22-10-2-8-11(19)9(14(20)21)3-15-12(8)16-13(10)17(6)4-7/h2-3,6-7,18H,1,4-5H2,(H,20,21)(H,15,16,19)/t6-,7+/m0/s1
chemicalCompound:standardIn...	MDVTYISHWKFZHY-NKWVEPMBSA-N
chemicalCompound:canonicalS...	O[C@@H]1C[C@H]2COc3cc4c(O)c(cnc4nc3N2C1)C(=O)O
chemicalCompound:molecularF...	C14 H13 N3 O5
chemicalCompound:moleculeId	354765
chemicalCompound:mwFreebase	303.27
chemicalCompound:alogp	-0.269
chemicalCompound:hba	8
chemicalCompound:hbd	3
chemicalCompound:psa	116.01
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	1.205
chemicalCompound:acdLogP	0.531
chemicalCompound:acdLogD	-2.95
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	303.27
chemicalCompound:acdMostBpk...	9.942
chemicalCompound:chemblId	CHEMBL209653
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:454765
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:1754854, activity:1754878, activity:1754924, activity:1754951, activity:1754978