220025

Source:http://linkedlifedata.com/resource/chembl/compound/220025

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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/C7H13N3O5/c8-10-9-1-3-5(12)7(14)6(13)4(2-11)15-3/h3-7,11-14H,1-2H2/t3-,4+,5-,6+,7+/m0/s1
chemicalCompound:standardIn...	CYKRKWKDNIBUBF-PJEQPVAWSA-N
chemicalCompound:canonicalS...	OC[C@H]1O[C@@H](CN=[N+]=[N-])[C@H](O)[C@@H](O)[C@@H]1O
chemicalCompound:molecularF...	C7 H13 N3 O5
chemicalCompound:moleculeId	220025
chemicalCompound:mwFreebase	219.195
chemicalCompound:alogp	-1.383
chemicalCompound:hba	7
chemicalCompound:hbd	4
chemicalCompound:psa	139.9
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.199
chemicalCompound:acdLogP	-2.097
chemicalCompound:acdLogD	-2.097
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	219.195
chemicalCompound:chemblId	CHEMBL335028
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:320025
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:229989, activity:244547, activity:433345, activity:438394, activity:480749, activity:489050, activity:1035407, activity:1081728