156693

Source:http://linkedlifedata.com/resource/chembl/compound/156693

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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/C24H26N2O4S/c1-4-22(18-8-6-5-7-9-18)25-24(27)21-16-19(30-3)12-15-23(21)26-31(28,29)20-13-10-17(2)11-14-20/h5-16,22,26H,4H2,1-3H3,(H,25,27)/t22-/m0/s1
chemicalCompound:standardIn...	JGSQIDXRWCCESW-QFIPXVFZSA-N
chemicalCompound:canonicalS...	CC[C@H](NC(=O)c1cc(OC)ccc1NS(=O)(=O)c2ccc(C)cc2)c3ccccc3
chemicalCompound:molecularF...	C24 H26 N2 O4 S
chemicalCompound:moleculeId	156693
chemicalCompound:mwFreebase	438.539
chemicalCompound:alogp	4.48
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	92.88
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.87
chemicalCompound:acdLogP	5.069
chemicalCompound:acdLogD	5.052
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	438.539
chemicalCompound:chemblId	CHEMBL318879
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:256693
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:308210, activity:308211