562682

Source:http://linkedlifedata.com/resource/chembl/compound/562682

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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/C22H29N3O5S/c1-14(2)25-20-6-4-3-5-15(20)11-19(22(25)27)21(26)23-16-12-17-7-8-18(13-16)24(17)9-10-31(28,29)30/h3-6,11,14,16-18H,7-10,12-13H2,1-2H3,(H,23,26)(H,28,29,30)/t16-,17+,18-
chemicalCompound:standardIn...	MMXOASVHIULOKY-BCDXTJNWSA-N
chemicalCompound:canonicalS...	CC(C)N1C(=O)C(=Cc2ccccc12)C(=O)NC3C[C@H]4CC[C@H](C3)N4CCS(=O)(=O)O
chemicalCompound:molecularF...	C22H29N3O5S
chemicalCompound:moleculeId	562682
chemicalCompound:mwFreebase	447.548
chemicalCompound:alogp	1.387
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	115.4
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	0.945
chemicalCompound:acdLogP	0
chemicalCompound:acdLogD	-2.5
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	447.548
chemicalCompound:acdMostBpk...	10.55
chemicalCompound:chemblId	CHEMBL552075
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:662682
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:2698638, activity:2698714, activity:2698790, activity:2703921