404478

Source:http://linkedlifedata.com/resource/chembl/compound/404478

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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/C18H19N7O6/c19-14-11-15(22-6-21-14)25(7-23-11)17-13(28)12(27)10(31-17)5-20-18(30)24-16(29)8-3-1-2-4-9(8)26/h1-4,6-7,10,12-13,17,26-28H,5H2,(H2,19,21,22)(H2,20,24,29,30)/t10-,12-,13-,17-/m1/s1
chemicalCompound:standardIn...	HNQSCVPQTCIJPO-CNEMSGBDSA-N
chemicalCompound:canonicalS...	Nc1ncnc2c1ncn2[C@@H]3O[C@H](CNC(=O)NC(=O)c4ccccc4O)[C@@H](O)[C@H]3O
chemicalCompound:molecularF...	C18H19N7O6
chemicalCompound:moleculeId	404478
chemicalCompound:mwFreebase	429.387
chemicalCompound:alogp	-0.947
chemicalCompound:hba	10
chemicalCompound:hbd	6
chemicalCompound:psa	197.73
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.084
chemicalCompound:acdLogP	1.101
chemicalCompound:acdLogD	1.019
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	429.387
chemicalCompound:acdMostBpk...	3.823
chemicalCompound:chemblId	CHEMBL392739
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:504478
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:2003199, activity:2003228, activity:2003259, activity:2401208