63066

Source:http://linkedlifedata.com/resource/chembl/compound/63066

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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/C15H22N2O5S2/c1-4-16(5-6-18)15(23)24-12-7(2)10-9(8(3)19)13(20)17(10)11(12)14(21)22/h7-10,18-19H,4-6H2,1-3H3,(H,21,22)/t7-,8-,9-,10-/m1/s1
chemicalCompound:standardIn...	WPWOASMJMLAVRT-ZYUZMQFOSA-N
chemicalCompound:canonicalS...	CCN(CCO)C(=S)SC1=C(N2[C@H]([C@H]1C)[C@@H]([C@@H](C)O)C2=O)C(=O)O
chemicalCompound:molecularF...	C15 H22 N2 O5 S2
chemicalCompound:moleculeId	63066
chemicalCompound:mwFreebase	374.476
chemicalCompound:alogp	0.881
chemicalCompound:hba	7
chemicalCompound:hbd	3
chemicalCompound:psa	158.69
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	4.096
chemicalCompound:acdLogP	-2.433
chemicalCompound:acdLogD	-5.636
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	374.476
chemicalCompound:acdMostBpk...	0.72
chemicalCompound:chemblId	CHEMBL43914
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:163066
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:1255151, activity:1255152, activity:1255153, activity:1255154, activity:1255155, activity:1255156, activity:1255157, activity:1255158