162329

Source:http://linkedlifedata.com/resource/chembl/compound/162329

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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/C15H17N7O6/c16-12-9-14(20-13(19-12)6-1-18-21(2-6)3-8(24)25)22(5-17-9)15-11(27)10(26)7(4-23)28-15/h1-2,5,7,10-11,15,23,26-27H,3-4H2,(H,24,25)(H2,16,19,20)/t7-,10-,11-,15-/m1/s1
chemicalCompound:standardIn...	ULAYZWXYKFTLCQ-YPKZDWGUSA-N
chemicalCompound:canonicalS...	Nc1nc(nc2c1ncn2[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c4cnn(CC(=O)O)c4
chemicalCompound:molecularF...	C15 H17 N7 O6
chemicalCompound:moleculeId	162329
chemicalCompound:mwFreebase	391.339
chemicalCompound:alogp	-2.129
chemicalCompound:hba	11
chemicalCompound:hbd	5
chemicalCompound:psa	194.65
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.533
chemicalCompound:acdLogP	-2.138
chemicalCompound:acdLogD	-5.64
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	391.339
chemicalCompound:acdMostBpk...	2.751
chemicalCompound:chemblId	CHEMBL319949
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:262329
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:1241192, activity:1241193