901238

Source:http://linkedlifedata.com/resource/chembl/compound/901238

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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/C24H22N4O5S/c1-14-9-21(29)28-24(16(14)12-25)34-13-22(30)26-17-10-20(33-3)18(11-19(17)32-2)27-23(31)15-7-5-4-6-8-15/h4-11H,13H2,1-3H3,(H,26,30)(H,27,31)(H,28,29)
chemicalCompound:standardIn...	MFQIKVMNEDPWQM-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)CSc3nc(O)cc(C)c3C#N
chemicalCompound:molecularF...	C24H22N4O5S
chemicalCompound:moleculeId	901238
chemicalCompound:mwFreebase	478.52
chemicalCompound:alogp	3.81
chemicalCompound:hba	8
chemicalCompound:hbd	3
chemicalCompound:psa	158.87
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.532
chemicalCompound:acdLogP	4.507
chemicalCompound:acdLogD	3.214
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	478.52
chemicalCompound:acdMostBpk...	6.692
chemicalCompound:chemblId	CHEMBL1477354
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1001238
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:3769092, activity:3942621, activity:4534018, activity:4536890, activity:4754075, activity:4763370, activity:4781648, activity:4839494, activity:4914830, activity:5425977, activity:7214796, activity:7370498, activity:7544461, activity:9808029