854495

Source:http://linkedlifedata.com/resource/chembl/compound/854495

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:1216
chemicalCompound:standardIn...	InChI=1S/C14H18N4O3.C3H6O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15;1-2(4)3(5)6/h5-7H,4H2,1-3H3,(H4,15,16,17,18);2,4H,1H3,(H,5,6)
chemicalCompound:standardIn...	IIZVTUWSIKTFKO-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC.CC(O)C(=O)O
chemicalCompound:molecularF...	C17H24N4O6
chemicalCompound:moleculeId	854495
chemicalCompound:mwFreebase	290.318
chemicalCompound:alogp	1.543
chemicalCompound:hba	7
chemicalCompound:hbd	2
chemicalCompound:psa	105.51
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	0.594
chemicalCompound:acdLogD	0.473
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	380.396
chemicalCompound:acdMostBpk...	6.9
chemicalCompound:chemblId	CHEMBL1430611
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:954495
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:3883750, activity:4128665, activity:4303804, activity:4639686, activity:4646830, activity:4686383, activity:5000961, activity:6745923, activity:7028297, activity:7130852