1286937

Source:http://linkedlifedata.com/resource/chembl/compound/1286937

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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/C26H27N5O2/c27-18-10-19-30(25(32)28-22-12-4-1-5-13-22)20-11-21-31(24-16-8-3-9-17-24)26(33)29-23-14-6-2-7-15-23/h1-9,12-17H,10-11,19-21H2,(H,28,32)(H,29,33)
chemicalCompound:standardIn...	SYPKLCOQWFFGPG-UHFFFAOYSA-N
chemicalCompound:canonicalS...	O=C(Nc1ccccc1)N(CCCN(C(=O)Nc2ccccc2)c3ccccc3)CCC#N
chemicalCompound:molecularF...	C26H27N5O2
chemicalCompound:moleculeId	1286937
chemicalCompound:mwFreebase	441.525
chemicalCompound:alogp	3.74
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	88.47
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.189
chemicalCompound:acdLogD	3.189
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	441.525
chemicalCompound:acdMostBpk...	0.3
chemicalCompound:chemblId	CHEMBL1965646
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1386937
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:8227254, activity:8278825, activity:8348276, activity:8363490, activity:8378051, activity:8402601, activity:8464397, activity:8484287, activity:8553572, activity:8569191, activity:8649980, activity:8701392, activity:8745778, activity:8748340, activity:8838727, activity:8849901, activity:8880889, activity:8901442, activity:8944653, activity:9049163, activity:9052637, activity:9145623, activity:9147805, activity:9165679, activity:9265465, activity:9280706, activity:9334162, activity:9341703, activity:9414932, activity:9486967, activity:9498102, activity:9571433, activity:9670454, activity:9754111, activity:9760214, activity:9770707, activity:9840702, activity:9869705, activity:9941302, activity:10011331, activity:10022674, activity:10059206, activity:10135330, activity:10150146, activity:10190870, activity:10227612, activity:10259135, activity:10300196, activity:10346443, activity:10417009, activity:10471847, activity:10569775, activity:10649829, activity:10668850, activity:10678014, activity:10698248, activity:10771272