1034788

Source:http://linkedlifedata.com/resource/chembl/compound/1034788

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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/C22H23N3O3S/c1-28-14-13-25-21(27)17-9-3-4-10-18(17)23-22(25)29-15-20(26)24-12-6-8-16-7-2-5-11-19(16)24/h2-5,7,9-11H,6,8,12-15H2,1H3
chemicalCompound:standardIn...	INFSRXNXCAPNKQ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COCCN1C(=O)c2ccccc2N=C1SCC(=O)N3CCCc4ccccc34
chemicalCompound:molecularF...	C22H23N3O3S
chemicalCompound:moleculeId	1034788
chemicalCompound:mwFreebase	409.501
chemicalCompound:alogp	3.478
chemicalCompound:hba	5
chemicalCompound:hbd	0
chemicalCompound:psa	87.51
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.686
chemicalCompound:acdLogD	3.686
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	409.501
chemicalCompound:acdMostBpk...	1
chemicalCompound:chemblId	CHEMBL1610904
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1134788
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:3638788, activity:3811806, activity:3913991, activity:4046876, activity:4151210, activity:4428332, activity:4739229, activity:4904936, activity:5562172, activity:5875192, activity:7172969, activity:7512284