496638

Source:http://linkedlifedata.com/resource/chembl/compound/496638

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C9H11N5O3/c10-9-11-1-5-8(13-9)14(4-12-5)6-3-16-7(2-15)17-6/h1,4,6-7,15H,2-3H2,(H2,10,11,13)/t6-,7-/m1/s1
chemicalCompound:standardIn...	SXHGYAAPHCFGCV-RNFRBKRXSA-N
chemicalCompound:canonicalS...	Nc1ncc2ncn([C@H]3CO[C@@H](CO)O3)c2n1
chemicalCompound:molecularF...	C9H11N5O3
chemicalCompound:moleculeId	496638
chemicalCompound:mwFreebase	237.215
chemicalCompound:alogp	-0.837
chemicalCompound:hba	7
chemicalCompound:hbd	2
chemicalCompound:psa	108.31
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	0.004
chemicalCompound:acdLogD	0.004
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	237.215
chemicalCompound:acdMostBpk...	3.374
chemicalCompound:chemblId	CHEMBL458895
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:596638
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:2349599, activity:2494982, activity:2494984, activity:2494986, activity:2494988, activity:2494990, activity:2494991, activity:2494992, activity:2494993, activity:2494994, activity:2494995, activity:2494996, activity:2494997, activity:2494998, activity:2494999, activity:2495000, activity:2495001, activity:2495002, activity:2495003, activity:2495004, activity:2495005, activity:2495008, activity:2495009, activity:2495010, activity:2495011, activity:2495014, activity:2495015, activity:2495033, activity:2495034, activity:2495035