110848

Source:http://linkedlifedata.com/resource/chembl/compound/110848

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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/C22H25N2O3PS/c1-2-27-28(26,24-15-7-3-4-10-21(24)25)16-17-11-13-18(14-12-17)22-23-19-8-5-6-9-20(19)29-22/h5-6,8-9,11-14H,2-4,7,10,15-16H2,1H3
chemicalCompound:standardIn...	LYLDLQDRDBSOGP-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCOP(=O)(Cc1ccc(cc1)c2nc3ccccc3s2)N4CCCCCC4=O
chemicalCompound:molecularF...	C22 H25 N2 O3 P S
chemicalCompound:moleculeId	110848
chemicalCompound:mwFreebase	428.484
chemicalCompound:alogp	4.133
chemicalCompound:hba	4
chemicalCompound:hbd	0
chemicalCompound:psa	97.55
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	4.054
chemicalCompound:acdLogD	4.054
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	428.484
chemicalCompound:acdMostBpk...	0.711
chemicalCompound:chemblId	CHEMBL71667
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:210848
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:520786, activity:520787, activity:520788, activity:520789, activity:520790