1108544

Source:http://linkedlifedata.com/resource/chembl/compound/1108544

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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/C27H37N3O6S2/c1-18-15-30(19(2)17-31)27(33)22-14-21(28-26(32)20-8-5-4-6-9-20)11-12-23(22)36-24(18)16-29(3)38(34,35)25-10-7-13-37-25/h7,10-14,18-20,24,31H,4-6,8-9,15-17H2,1-3H3,(H,28,32)/t18-,19-,24-/m0/s1
chemicalCompound:standardIn...	ZQSZRRKBISDGMW-JXQFQVJHSA-N
chemicalCompound:canonicalS...	C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)S(=O)(=O)c2cccs2)Oc3ccc(NC(=O)C4CCCCC4)cc3C1=O
chemicalCompound:molecularF...	C27H37N3O6S2
chemicalCompound:moleculeId	1108544
chemicalCompound:mwFreebase	563.729
chemicalCompound:alogp	3.223
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	152.87
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.845
chemicalCompound:acdLogP	5.83
chemicalCompound:acdLogD	5.83
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	563.729
chemicalCompound:acdMostBpk...	0.874
chemicalCompound:chemblId	CHEMBL1727813
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1208544
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:5420525, activity:5509630, activity:5527528, activity:5538480, activity:5587632, activity:5875665, activity:6606672, activity:6994370, activity:7285344