63553

Source:http://linkedlifedata.com/resource/chembl/compound/63553

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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/C14H18N2O5S2/c1-5-9-8(6(2)17)12(19)16(9)10(13(20)21)11(5)23-14(22)15-3-7(18)4-15/h5-9,17-18H,3-4H2,1-2H3,(H,20,21)/t5-,6-,8-,9-/m1/s1
chemicalCompound:standardIn...	SELKJBBNSLJRSE-SQEXRHODSA-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)N3CC(O)C3
chemicalCompound:molecularF...	C14 H18 N2 O5 S2
chemicalCompound:moleculeId	63553
chemicalCompound:mwFreebase	358.433
chemicalCompound:alogp	0.38
chemicalCompound:hba	7
chemicalCompound:hbd	3
chemicalCompound:psa	158.69
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	4.1
chemicalCompound:acdLogP	-3.43
chemicalCompound:acdLogD	-6.606
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	358.433
chemicalCompound:chemblId	CHEMBL42746
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:163553
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:1242562, activity:1242563, activity:1242564, activity:1242565, activity:1242566, activity:1242567, activity:1242568, activity:1242569