361444

Source:http://linkedlifedata.com/resource/chembl/compound/361444

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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:361444_AZD-0530_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C27H32ClN5O5/c1-32-6-8-33(9-7-32)10-13-35-19-14-21-24(23(15-19)38-18-4-11-34-12-5-18)27(30-16-29-21)31-25-20(28)2-3-22-26(25)37-17-36-22/h2-3,14-16,18H,4-13,17H2,1H3,(H,29,30,31)
chemicalCompound:standardIn...	OUKYUETWWIPKQR-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN1CCN(CCOc2cc(OC3CCOCC3)c4c(Nc5c(Cl)ccc6OCOc56)ncnc4c2)CC1
chemicalCompound:molecularF...	C27H32ClN5O5
chemicalCompound:moleculeId	361444
chemicalCompound:mwFreebase	542.026
chemicalCompound:alogp	3.814
chemicalCompound:hba	10
chemicalCompound:hbd	1
chemicalCompound:psa	90.44
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.304
chemicalCompound:acdLogD	2.89
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	542.026
chemicalCompound:acdMostBpk...	7.547
chemicalCompound:chemblId	CHEMBL217092
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:461444
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	AZD-0530
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:47458
chemicalCompound:activity	activity:1779153, activity:1779200, activity:1779226, activity:1779267, activity:1779287, activity:1779288, activity:1779289, activity:1779290, activity:1779291, activity:1779292, activity:1779293, activity:1779294, activity:1779295, activity:1779296, activity:1779297, activity:1779298, activity:1779320, activity:1779344, activity:1779345, activity:1779346, activity:1779347, activity:1779348, activity:1779349, activity:1779376, activity:1779377, activity:1779378, activity:1779379, activity:1779380, activity:1779381, activity:1779382, activity:1779383, activity:1779384, activity:1779385, activity:1779386, activity:1779387, activity:1779388, activity:1779389, activity:1779390, activity:1779391, activity:1779392, activity:1779393, activity:1779394, activity:1779395, activity:1779396, activity:1779397, activity:1779398, activity:1779399, activity:1779401, activity:1779402, activity:1779403, activity:1779404, activity:1779405, activity:1779406, activity:1780719, activity:1780720, activity:1780723, activity:1780724, activity:2200410, activity:2200427, activity:2200439, activity:2200443, activity:2200444, activity:2200445, activity:2200460