595127

Source:http://linkedlifedata.com/resource/chembl/compound/595127

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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/C14H22N2O4S2/c1-4-21-10-9(7-17)20-13(11(10)22-5-2)16-6-8(3)12(18)15-14(16)19/h6,9-11,13,17H,4-5,7H2,1-3H3,(H,15,18,19)/t9-,10-,11-,13-/m1/s1
chemicalCompound:standardIn...	UYCVEMZKVSLOIF-PRULPYPASA-N
chemicalCompound:canonicalS...	CCS[C@@H]1[C@@H](CO)O[C@H]([C@@H]1SCC)N2C=C(C)C(=O)NC2=O
chemicalCompound:molecularF...	C14H22N2O4S2
chemicalCompound:moleculeId	595127
chemicalCompound:mwFreebase	346.465
chemicalCompound:alogp	1
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	129.47
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	9.551
chemicalCompound:acdLogP	2.305
chemicalCompound:acdLogD	2.302
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	346.465
chemicalCompound:chemblId	CHEMBL595321
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:695127
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:3082542, activity:3082543, activity:3082544, activity:3082551