623913

Source:http://linkedlifedata.com/resource/chembl/compound/623913

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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/C28H32N2O6S/c1-20-9-7-10-21(2)26(20)36-37(32,33)29-27(31)28(22-11-8-12-23(19-22)34-3)15-17-30(18-16-28)24-13-5-6-14-25(24)35-4/h5-14,19H,15-18H2,1-4H3,(H,29,31)
chemicalCompound:standardIn...	MWSQNCIDPXZCRG-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1cccc(c1)C2(CCN(CC2)c3ccccc3OC)C(=O)NS(=O)(=O)Oc4c(C)cccc4C
chemicalCompound:molecularF...	C28H32N2O6S
chemicalCompound:moleculeId	623913
chemicalCompound:mwFreebase	524.628
chemicalCompound:alogp	5.244
chemicalCompound:hba	7
chemicalCompound:hbd	1
chemicalCompound:psa	102.55
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	1.712
chemicalCompound:acdLogP	4.231
chemicalCompound:acdLogD	2.23
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	524.628
chemicalCompound:acdMostBpk...	5.05
chemicalCompound:chemblId	CHEMBL1090935
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:723913
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:3236520, activity:3238832