205462

Source:http://linkedlifedata.com/resource/chembl/compound/205462

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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/C28H30N4O6S2/c33-23(25(37-15-19-7-3-1-4-8-19)27(35)31-13-21-11-29-17-39-21)24(34)26(38-16-20-9-5-2-6-10-20)28(36)32-14-22-12-30-18-40-22/h1-12,17-18,23-26,33-34H,13-16H2,(H,31,35)(H,32,36)/t23-,24-,25-,26-/m1/s1
chemicalCompound:standardIn...	OHGDQHNPCVVXRG-VEYUFSJPSA-N
chemicalCompound:canonicalS...	O[C@H]([C@@H](O)[C@@H](OCc1ccccc1)C(=O)NCc2cncs2)[C@@H](OCc3ccccc3)C(=O)NCc4cncs4
chemicalCompound:molecularF...	C28 H30 N4 O6 S2
chemicalCompound:moleculeId	205462
chemicalCompound:mwFreebase	582.691
chemicalCompound:alogp	0.689
chemicalCompound:hba	8
chemicalCompound:hbd	4
chemicalCompound:psa	199.37
chemicalCompound:rtb	15
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.549
chemicalCompound:acdLogP	4.494
chemicalCompound:acdLogD	4.493
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	582.691
chemicalCompound:acdMostBpk...	2.681
chemicalCompound:chemblId	CHEMBL124684
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:305462
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:343939, activity:343940