429611

Source:http://linkedlifedata.com/resource/chembl/compound/429611

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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/C19H20BrN5O2/c1-25-8-6-12(7-9-25)19(27)22-18-14-10-15(20)16(21-17(14)23-24-18)11-2-4-13(26)5-3-11/h2-5,10,12,26H,6-9H2,1H3,(H2,21,22,23,24,27)
chemicalCompound:standardIn...	BSHCILRNXWKQAL-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN1CCC(CC1)C(=O)Nc2n[nH]c3nc(c(Br)cc23)c4ccc(O)cc4
chemicalCompound:molecularF...	C19H20BrN5O2
chemicalCompound:moleculeId	429611
chemicalCompound:mwFreebase	430.298
chemicalCompound:alogp	3.261
chemicalCompound:hba	5
chemicalCompound:hbd	3
chemicalCompound:psa	94.14
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	7.931
chemicalCompound:acdLogP	1.481
chemicalCompound:acdLogD	0.245
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	430.298
chemicalCompound:acdMostBpk...	9
chemicalCompound:chemblId	CHEMBL261129
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:529611
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:1287215, activity:2154862, activity:2234609, activity:2234610, activity:7338564, activity:7525691, activity:8062480, activity:8062481, activity:8062482, activity:8062483, activity:8062484, activity:8062485, activity:8062486, activity:8062487, activity:8062488, activity:8062489, activity:8062490, activity:8062491, activity:8062492, activity:8062493, activity:8062494, activity:8062495, activity:8062496, activity:8062497, activity:8062498, activity:8062499, activity:8062500, activity:8062501, activity:8062502, activity:8062503, activity:8062504, activity:8062505, activity:8062506, activity:8062507, activity:8062508, activity:8062509, activity:8062510, activity:8062511, activity:8062512, activity:8062513, activity:8062514, activity:8062515, activity:8062516, activity:8062517, activity:8062518, activity:8062519, activity:8062520, activity:8062521, activity:8062522, activity:8062523, activity:8062524, activity:8062525, activity:8062526, activity:8062527, activity:8062528, activity:8062529, activity:8062530, activity:8062531, activity:8062532, activity:8062533, activity:8062534, activity:8062535, activity:8062536, activity:8062537, activity:8062538, activity:8062539