184354

Source:http://linkedlifedata.com/resource/chembl/compound/184354

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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/C22H25N5O2S/c1-15(28)25-13-16-6-5-8-18(12-16)19-14-30-22(26-19)27-21(23)24-11-10-17-7-3-4-9-20(17)29-2/h3-9,12,14H,10-11,13H2,1-2H3,(H,25,28)(H3,23,24,26,27)
chemicalCompound:standardIn...	RFNMXZDOANUDEC-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccccc1CC\N=C(/N)\Nc2nc(cs2)c3cccc(CNC(=O)C)c3
chemicalCompound:molecularF...	C22 H25 N5 O2 S
chemicalCompound:moleculeId	184354
chemicalCompound:mwFreebase	423.531
chemicalCompound:alogp	2.96
chemicalCompound:hba	6
chemicalCompound:hbd	3
chemicalCompound:psa	129.87
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.598
chemicalCompound:acdLogD	2.889
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	423.531
chemicalCompound:acdMostBpk...	8.408
chemicalCompound:chemblId	CHEMBL324525
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:284354
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:39738, activity:39739, activity:39740, activity:39741, activity:39742, activity:39743, activity:39744, activity:39745, activity:39746