209667

Source:http://linkedlifedata.com/resource/chembl/compound/209667

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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/C21H31N3O4S2/c1-13(2)18-19-14(7-8-16(19)24(21(18)26)30(3,27)28)20(25)15-12-29-17(22-15)11-23-9-5-4-6-10-23/h12-14,16,18-19H,4-11H2,1-3H3/t14?,16-,18?,19?/m0/s1
chemicalCompound:standardIn...	RAKWMRLAFIXUGU-NDMIXWBDSA-N
chemicalCompound:canonicalS...	CC(C)[C@@H]1C2[C@H](CCC2C(=O)c3csc(CN4CCCCC4)n3)N(C1=O)S(=O)(=O)C
chemicalCompound:molecularF...	C21 H31 N3 O4 S2
chemicalCompound:moleculeId	209667
chemicalCompound:mwFreebase	453.619
chemicalCompound:alogp	2.456
chemicalCompound:hba	6
chemicalCompound:hbd	0
chemicalCompound:psa	124.26
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.542
chemicalCompound:acdLogD	3.46
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	453.619
chemicalCompound:acdMostBpk...	6.972
chemicalCompound:chemblId	CHEMBL127915
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:309667
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:62538, activity:62539