469313

Source:http://linkedlifedata.com/resource/chembl/compound/469313

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:469313_GSK-690693_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C21H27N7O3/c1-4-28-18-15(30-12-13-6-5-9-23-10-13)11-24-14(7-8-21(2,3)29)16(18)25-20(28)17-19(22)27-31-26-17/h11,13,23,29H,4-6,9-10,12H2,1-3H3,(H2,22,27)/t13-/m0/s1
chemicalCompound:standardIn...	KGPGFQWBCSZGEL-ZDUSSCGKSA-N
chemicalCompound:canonicalS...	CCn1c(nc2c(ncc(OC[C@H]3CCCNC3)c12)C#CC(C)(C)O)c4nonc4N
chemicalCompound:molecularF...	C21H27N7O3
chemicalCompound:moleculeId	469313
chemicalCompound:mwFreebase	425.484
chemicalCompound:alogp	1.839
chemicalCompound:hba	8
chemicalCompound:hbd	3
chemicalCompound:psa	137.13
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.111
chemicalCompound:acdLogP	2.013
chemicalCompound:acdLogD	-0.273
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	425.484
chemicalCompound:acdMostBpk...	9.769
chemicalCompound:chemblId	CHEMBL494089
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:569313
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:2367158, activity:2367185, activity:2367202, activity:2367285, activity:2367294, activity:2367303, activity:2367314, activity:2367318, activity:2367319, activity:2367320, activity:2367321, activity:2367322, activity:2367323, activity:2367324, activity:2367325, activity:2367326, activity:2367327, activity:2367328, activity:2367329, activity:2367330, activity:2367331, activity:2367332, activity:2367333, activity:2367334, activity:2367335, activity:2367336, activity:2367337, activity:2367338, activity:2367339, activity:2367340, activity:2367341, activity:2367342, activity:2367343, activity:2367344, activity:2367345, activity:2367346, activity:2367347, activity:2367348, activity:2367349, activity:2367350, activity:2367351, activity:2367352, activity:2367353, activity:2367354, activity:2367357, activity:2367358, activity:2367359, activity:2367360, activity:2367361, activity:2367372, activity:2367373, activity:2367374, activity:3269013, activity:3269021, activity:3269053, activity:3269074, activity:3269095, activity:3269116, activity:3269137, activity:3269514, activity:3269523, activity:7593971, activity:7593972, activity:7593973, activity:7593974