169855

Source:http://linkedlifedata.com/resource/chembl/compound/169855

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:169855_BMS-196085_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C24H26F2N2O5S/c1-34(31,32)28-21-14-18(9-12-22(21)29)23(30)15-27-20(13-16-5-3-2-4-6-16)17-7-10-19(11-8-17)33-24(25)26/h2-12,14,20,23-24,27-30H,13,15H2,1H3/t20-,23+/m1/s1
chemicalCompound:standardIn...	XWLVOJZVWRCRMD-OFNKIYASSA-N
chemicalCompound:canonicalS...	CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CN[C@H](Cc2ccccc2)c3ccc(OC(F)F)cc3
chemicalCompound:molecularF...	C24 H26 F2 N2 O5 S
chemicalCompound:moleculeId	169855
chemicalCompound:mwFreebase	492.535
chemicalCompound:alogp	3.848
chemicalCompound:hba	6
chemicalCompound:hbd	4
chemicalCompound:psa	116.27
chemicalCompound:rtb	11
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	10.89
chemicalCompound:acdLogP	3.372
chemicalCompound:acdLogD	3.051
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	492.535
chemicalCompound:acdMostBpk...	8.91
chemicalCompound:chemblId	CHEMBL322862
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:269855
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:307450, activity:307451, activity:307452, activity:307453, activity:307454, activity:307455, activity:307456, activity:307457, activity:307458, activity:307459, activity:307460, activity:307461, activity:307462, activity:307463, activity:307464, activity:307465, activity:307466, activity:2034331, activity:2034349, activity:2034366, activity:2034504, activity:2034505, activity:2034520, activity:2034523, activity:2034526, activity:2034528