68889

Source:http://linkedlifedata.com/resource/chembl/compound/68889

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:680280
chemicalCompound:standardIn...	InChI=1S/C23H26ClNO5S2.Na/c1-16(2)17-6-12-21-18(15-23(32(28,29)30)22(21)13-7-17)5-3-4-14-25-31(26,27)20-10-8-19(24)9-11-20;/h6-13,15-16,25H,3-5,14H2,1-2H3,(H,28,29,30);/q;+1/p-1
chemicalCompound:standardIn...	QIBQVFYOTMPEIP-UHFFFAOYSA-M
chemicalCompound:canonicalS...	[Na+].CC(C)c1ccc2c(CCCCNS(=O)(=O)c3ccc(Cl)cc3)cc(c2cc1)S(=O)(=O)[O-]
chemicalCompound:molecularF...	C23 H25 Cl N O5 S2 . Na
chemicalCompound:moleculeId	68889
chemicalCompound:mwFreebase	496.039
chemicalCompound:alogp	5.657
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	117.3
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	3.858
chemicalCompound:fullMwt	518.021
chemicalCompound:chemblId	CHEMBL262655
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:168889
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:467739, activity:467740, activity:467741, activity:625190, activity:625191, activity:648814, activity:648815, activity:648816, activity:648817, activity:648818, activity:648819, activity:648820, activity:648821