63205

Source:http://linkedlifedata.com/resource/chembl/compound/63205

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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/C14H18N2O4S2/c1-7(17)10-8-6-9(11(13(19)20)16(8)12(10)18)22-14(21)15-4-2-3-5-15/h7-8,10,17H,2-6H2,1H3,(H,19,20)/t7-,8-,10-/m1/s1
chemicalCompound:standardIn...	QCPOATRLAWJRIP-NQMVMOMDSA-N
chemicalCompound:canonicalS...	C[C@@H](O)[C@@H]1[C@H]2CC(=C(N2C1=O)C(=O)O)SC(=S)N3CCCC3
chemicalCompound:molecularF...	C14 H18 N2 O4 S2
chemicalCompound:moleculeId	63205
chemicalCompound:mwFreebase	342.434
chemicalCompound:alogp	1.084
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	138.47
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	4.091
chemicalCompound:acdLogP	-2.59
chemicalCompound:acdLogD	-5.766
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	342.434
chemicalCompound:acdMostBpk...	0.748
chemicalCompound:chemblId	CHEMBL42834
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:163205
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:1255160, activity:1255161, activity:1255162, activity:1255163, activity:1255164