162730

Source:http://linkedlifedata.com/resource/chembl/compound/162730

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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/C16H21N5O4/c1-2-3-4-5-6-10-19-14(17)11-15(20-10)21(8-18-11)16-13(24)12(23)9(7-22)25-16/h8-9,12-13,16,22-24H,2-4,7H2,1H3,(H2,17,19,20)/t9-,12-,13-,16-/m1/s1
chemicalCompound:standardIn...	AHJRSKVOELIMOX-RVXWVPLUSA-N
chemicalCompound:canonicalS...	CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
chemicalCompound:molecularF...	C16H21N5O4
chemicalCompound:moleculeId	162730
chemicalCompound:mwFreebase	347.369
chemicalCompound:alogp	0.666
chemicalCompound:hba	8
chemicalCompound:hbd	4
chemicalCompound:psa	139.54
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.074
chemicalCompound:acdLogP	1.753
chemicalCompound:acdLogD	1.753
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	347.369
chemicalCompound:acdMostBpk...	2.334
chemicalCompound:chemblId	CHEMBL319387
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:262730
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:1229827, activity:2154145, activity:2154220, activity:3010383, activity:3010412, activity:8031117