209242

Source:http://linkedlifedata.com/resource/chembl/compound/209242

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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/C21H29N3O4S/c1-13(2)18-19-17(24(21(18)26)29(3,27)28)10-11-23(19)20(25)15-6-4-14(5-7-15)12-22-16-8-9-16/h4-7,13,16-19,22H,8-12H2,1-3H3
chemicalCompound:standardIn...	PKIMVDMNVZGENC-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)C1C2C(CCN2C(=O)c3ccc(CNC4CC4)cc3)N(C1=O)S(=O)(=O)C
chemicalCompound:molecularF...	C21 H29 N3 O4 S
chemicalCompound:moleculeId	209242
chemicalCompound:mwFreebase	419.538
chemicalCompound:alogp	1.287
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	95.16
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.517
chemicalCompound:acdLogD	0.939
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	419.538
chemicalCompound:acdMostBpk...	7.909
chemicalCompound:chemblId	CHEMBL341132
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:309242
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:52364, activity:52365, activity:52366, activity:52367, activity:52368, activity:52369