110580

Source:http://linkedlifedata.com/resource/chembl/compound/110580

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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/C22H24N3O4PS/c1-3-24-13-14-25(22(27)21(24)26)30(28,29-4-2)15-16-9-11-17(12-10-16)20-23-18-7-5-6-8-19(18)31-20/h5-12H,3-4,13-15H2,1-2H3
chemicalCompound:standardIn...	UUMPBELGUGCRSJ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCOP(=O)(Cc1ccc(cc1)c2nc3ccccc3s2)N4CCN(CC)C(=O)C4=O
chemicalCompound:molecularF...	C22 H24 N3 O4 P S
chemicalCompound:moleculeId	110580
chemicalCompound:mwFreebase	457.482
chemicalCompound:alogp	2.692
chemicalCompound:hba	5
chemicalCompound:hbd	0
chemicalCompound:psa	117.86
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	3.363
chemicalCompound:acdLogD	3.363
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	457.482
chemicalCompound:acdMostBpk...	0.672
chemicalCompound:chemblId	CHEMBL67969
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:210580
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:549546