13080

Source:http://linkedlifedata.com/resource/chembl/compound/13080

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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/C19H26N4O5/c1-25-14-9-12(8-13-11-22-19(21)23-18(13)20)10-15(17(14)27-3)28-7-5-4-6-16(24)26-2/h9-11H,4-8H2,1-3H3,(H4,20,21,22,23)
chemicalCompound:standardIn...	SKEWWBXPICQEBN-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COC(=O)CCCCOc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC
chemicalCompound:molecularF...	C19 H26 N4 O5
chemicalCompound:moleculeId	13080
chemicalCompound:mwFreebase	390.434
chemicalCompound:alogp	2.276
chemicalCompound:hba	9
chemicalCompound:hbd	2
chemicalCompound:psa	131.81
chemicalCompound:rtb	11
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.244
chemicalCompound:acdLogD	1.121
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	390.434
chemicalCompound:acdMostBpk...	6.904
chemicalCompound:chemblId	CHEMBL13877
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:113080
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:200953, activity:380850, activity:380851, activity:380852, activity:380853, activity:380854, activity:2823674, activity:2834860, activity:2880276, activity:2881199, activity:2885124, activity:2890806