682626

Source:http://linkedlifedata.com/resource/chembl/compound/682626

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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/C30H37N3O7S/c1-30(2,3)20-18-24(28(38-4)25(19-20)32-41(5,36)37)31-29(35)27(34)23-10-11-26(22-9-7-6-8-21(22)23)40-17-14-33-12-15-39-16-13-33/h6-11,18-19,32H,12-17H2,1-5H3,(H,31,35)
chemicalCompound:standardIn...	UUROSJLZNDSXRF-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1c(NC(=O)C(=O)c2ccc(OCCN3CCOCC3)c4ccccc24)cc(cc1NS(=O)(=O)C)C(C)(C)C
chemicalCompound:molecularF...	C30H37N3O7S
chemicalCompound:moleculeId	682626
chemicalCompound:mwFreebase	583.696
chemicalCompound:alogp	3.514
chemicalCompound:hba	8
chemicalCompound:hbd	2
chemicalCompound:psa	131.65
chemicalCompound:rtb	11
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.339
chemicalCompound:acdLogP	3.578
chemicalCompound:acdLogD	3.484
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	583.696
chemicalCompound:acdMostBpk...	6.291
chemicalCompound:chemblId	CHEMBL1208829
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:782626
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:3383677, activity:3383696, activity:3383704, activity:3383706, activity:3383708, activity:3383710, activity:3383712, activity:3383714, activity:3383716