96486

Source:http://linkedlifedata.com/resource/chembl/compound/96486

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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/C25H28N2O7S/c1-25(2,3)34-22(28)15-26-21-12-11-19(14-20(21)23(29)24(26)30)35(31,32)27-13-7-8-17(27)16-33-18-9-5-4-6-10-18/h4-6,9-12,14,17H,7-8,13,15-16H2,1-3H3/t17-/m0/s1
chemicalCompound:standardIn...	ICYOAHGNCPYQFG-KRWDZBQOSA-N
chemicalCompound:canonicalS...	CC(C)(C)OC(=O)CN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N3CCC[C@H]3COc4ccccc4
chemicalCompound:molecularF...	C25 H28 N2 O7 S
chemicalCompound:moleculeId	96486
chemicalCompound:mwFreebase	500.564
chemicalCompound:alogp	2.753
chemicalCompound:hba	7
chemicalCompound:hbd	0
chemicalCompound:psa	118.67
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.584
chemicalCompound:acdLogD	3.584
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	500.564
chemicalCompound:chemblId	CHEMBL60671
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:196486
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:368773, activity:2702689, activity:2702719