273

Source:http://linkedlifedata.com/resource/chembl/compound/273

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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:273_SB-431542_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C22H16N4O3/c23-21(27)13-4-6-14(7-5-13)22-25-19(20(26-22)16-3-1-2-10-24-16)15-8-9-17-18(11-15)29-12-28-17/h1-11H,12H2,(H2,23,27)(H,25,26)
chemicalCompound:standardIn...	FHYUGAJXYORMHI-UHFFFAOYSA-N
chemicalCompound:canonicalS...	NC(=O)c1ccc(cc1)c2nc(c3ccccn3)c([nH]2)c4ccc5OCOc5c4
chemicalCompound:molecularF...	C22H16N4O3
chemicalCompound:moleculeId	273
chemicalCompound:mwFreebase	384.387
chemicalCompound:alogp	3.447
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	103.12
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.144
chemicalCompound:acdLogP	2.368
chemicalCompound:acdLogD	2.368
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	384.387
chemicalCompound:acdMostBpk...	2.237
chemicalCompound:chemblId	CHEMBL440084
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100273
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	SB-431542
chemicalCompound:activity	activity:981817, activity:981818, activity:1904534, activity:1904553, activity:1904572, activity:1904591, activity:1904648, activity:2109501, activity:2109527, activity:2109552, activity:2403449, activity:2403462, activity:2403475, activity:2572662, activity:2572663, activity:2572664, activity:2572665, activity:2572666, activity:2572667, activity:2572668, activity:2572669, activity:2572670, activity:2572671, activity:2572672, activity:2572673, activity:2572674, activity:2572675, activity:2572676, activity:2572677, activity:2572678, activity:2572679, activity:2572680, activity:2572681, activity:2572682, activity:2724658, activity:2724672, activity:2724686, activity:2724725, activity:2724772, activity:2724786, activity:2724800, activity:2724801, activity:2724803, activity:2890835, activity:2890873, activity:2890911, activity:2890949, activity:2890987, activity:2891025, activity:2891063, activity:2891101, activity:2891139, activity:2891177, activity:2891215, activity:2891236, activity:2891274, activity:2891312, activity:2891350, activity:2891387, activity:2891425, activity:2891463, activity:2891501, activity:2891539, activity:2891577