63051

Source:http://linkedlifedata.com/resource/chembl/compound/63051

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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/C19H22N2O4S2/c1-10-14-13(11(2)22)17(23)21(14)15(18(24)25)16(10)27-19(26)20(3)9-12-7-5-4-6-8-12/h4-8,10-11,13-14,22H,9H2,1-3H3,(H,24,25)/t10-,11-,13-,14-/m1/s1
chemicalCompound:standardIn...	NYONOUASWIWVNY-HBJVGIJOSA-N
chemicalCompound:canonicalS...	C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(=C(N2C1=O)C(=O)O)SC(=S)N(C)Cc3ccccc3
chemicalCompound:molecularF...	C19 H22 N2 O4 S2
chemicalCompound:moleculeId	63051
chemicalCompound:mwFreebase	406.519
chemicalCompound:alogp	2.655
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	138.47
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	4.088
chemicalCompound:acdLogP	-0.666
chemicalCompound:acdLogD	-3.872
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	406.519
chemicalCompound:acdMostBpk...	0.9
chemicalCompound:chemblId	CHEMBL43551
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:163051
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:1243785, activity:1243786, activity:1243787, activity:1243788, activity:1243789, activity:1243790, activity:1243791, activity:1243792