324332

Source:http://linkedlifedata.com/resource/chembl/compound/324332

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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/C31H43N5O7S2/c1-20(2)17-36(45(39,40)22-9-10-24-28(16-22)44-30(34-24)33-13-12-32-3)18-26(37)25(15-21-7-5-4-6-8-21)35-31(38)43-27-19-42-29-23(27)11-14-41-29/h4-10,16,20,23,25-27,29,32,37H,11-15,17-19H2,1-3H3,(H,33,34)(H,35,38)/t23-,25-,26+,27-,29+/m0/s1
chemicalCompound:standardIn...	JSSJWJPFDHRFMY-OPUPNEDUSA-N
chemicalCompound:canonicalS...	CNCCNc1nc2ccc(cc2s1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)O[C@H]4CO[C@H]5OCC[C@@H]45
chemicalCompound:molecularF...	C31 H43 N5 O7 S2
chemicalCompound:moleculeId	324332
chemicalCompound:mwFreebase	661.832
chemicalCompound:alogp	2.943
chemicalCompound:hba	10
chemicalCompound:hbd	4
chemicalCompound:psa	187.97
chemicalCompound:rtb	16
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	11.396
chemicalCompound:acdLogP	4.601
chemicalCompound:acdLogD	2.79
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	661.832
chemicalCompound:acdMostBpk...	9.603
chemicalCompound:chemblId	CHEMBL192550
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:424332
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:1519414, activity:1519415, activity:1519416, activity:1519417, activity:1519418, activity:1519419