940365

Source:http://linkedlifedata.com/resource/chembl/compound/940365

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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:1118032
chemicalCompound:standardIn...	InChI=1S/C12H16N4O.C5H11N/c17-12-10-9(6-13-11(10)14-8-15-12)7-16-4-2-1-3-5-16;1-2-4-6-5-3-1/h6,8H,1-5,7H2,(H2,13,14,15,17);6H,1-5H2
chemicalCompound:standardIn...	PLVRWVNQTYMHQU-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Oc1ncnc2[nH]cc(CN3CCCCC3)c12.C4CCNCC4
chemicalCompound:molecularF...	C17H27N5O
chemicalCompound:moleculeId	940365
chemicalCompound:mwFreebase	232.282
chemicalCompound:alogp	1.831
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	65.03
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	0.615
chemicalCompound:acdLogP	0.501
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	317.429
chemicalCompound:acdMostBpk...	11.882
chemicalCompound:chemblId	CHEMBL1516481
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1040365
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:4443983, activity:5999323, activity:6010021, activity:6013318, activity:6025468, activity:6046376, activity:8271216, activity:8290329, activity:8340223, activity:8350963, activity:8374297, activity:8442614, activity:8462862, activity:8531898, activity:8547514, activity:8612353, activity:8628329, activity:8693381, activity:8695784, activity:8733158, activity:8744540, activity:8834920, activity:8837091, activity:8868323, activity:8884397, activity:9007201, activity:9036587, activity:9048619, activity:9113120, activity:9133265, activity:9153072, activity:9259319, activity:9261778, activity:9325960, activity:9395546, activity:9398131, activity:9474805, activity:9481465, activity:9563549, activity:9650361, activity:9756753, activity:9822369, activity:9861922, activity:9903308, activity:9919985, activity:9970361, activity:10011872, activity:10023320, activity:10116191, activity:10126770, activity:10137599, activity:10224034, activity:10259703, activity:10318097, activity:10342989, activity:10366605, activity:10413490, activity:10445223, activity:10534249, activity:10561927, activity:10646345, activity:10648174, activity:10740579, activity:10747660, activity:10767605