162481

Source:http://linkedlifedata.com/resource/chembl/compound/162481

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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/C20H21N7O4/c1-10-2-4-11(5-3-10)12-6-23-27(7-12)20-24-17(21)14-18(25-20)26(9-22-14)19-16(30)15(29)13(8-28)31-19/h2-7,9,13,15-16,19,28-30H,8H2,1H3,(H2,21,24,25)/t13-,15-,16-,19-/m1/s1
chemicalCompound:standardIn...	SMHXFNFQIACRLB-NVQRDWNXSA-N
chemicalCompound:canonicalS...	Cc1ccc(cc1)c2cnn(c2)c3nc(N)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3
chemicalCompound:molecularF...	C20 H21 N7 O4
chemicalCompound:moleculeId	162481
chemicalCompound:mwFreebase	423.425
chemicalCompound:alogp	0.871
chemicalCompound:hba	9
chemicalCompound:hbd	4
chemicalCompound:psa	157.35
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.074
chemicalCompound:acdLogP	2.054
chemicalCompound:acdLogD	2.054
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	423.425
chemicalCompound:acdMostBpk...	1.614
chemicalCompound:chemblId	CHEMBL98597
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:262481
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:1245379, activity:1245380