925016

Source:http://linkedlifedata.com/resource/chembl/compound/925016

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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/C20H18N4O4/c1-26-11-8-21-20(25)22-13-6-7-14-15(12-13)24-19(17-5-3-10-28-17)18(23-14)16-4-2-9-27-16/h2-7,9-10,12H,8,11H2,1H3,(H2,21,22,25)
chemicalCompound:standardIn...	KKWJOTGFSWWYJO-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COCCNC(=O)Nc1ccc2nc(c3occc3)c(nc2c1)c4occc4
chemicalCompound:molecularF...	C20H18N4O4
chemicalCompound:moleculeId	925016
chemicalCompound:mwFreebase	378.381
chemicalCompound:alogp	2.963
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	102.42
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.37
chemicalCompound:acdLogP	3.41
chemicalCompound:acdLogD	3.409
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	378.381
chemicalCompound:acdMostBpk...	0.238
chemicalCompound:chemblId	CHEMBL1501132
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1025016
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:3633790, activity:3673697, activity:3727272, activity:3795013, activity:3939040, activity:3947690, activity:4016793, activity:4024577, activity:4136159, activity:4347532, activity:4381031, activity:4479352, activity:4511038, activity:4551647, activity:4605186, activity:4621057, activity:4722044, activity:4843972, activity:4887068, activity:4925733, activity:5369773, activity:5395875, activity:5411935, activity:5416747, activity:5513622, activity:5527824, activity:5536272, activity:5567629, activity:5569136, activity:5573819, activity:5574998, activity:5652059, activity:5695748, activity:5806862, activity:5971257, activity:6436146, activity:6509836, activity:6554796, activity:6637481, activity:6755147, activity:6790769, activity:6862050, activity:6890838, activity:6954795, activity:6993121, activity:7044702, activity:7065218, activity:7075028, activity:7077987, activity:7234258, activity:7401710, activity:7468189, activity:9758276, activity:10041887, activity:10419221, activity:10431833