123436

Source:http://linkedlifedata.com/resource/chembl/compound/123436

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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/C17H23N3S/c1-13-17(14-7-4-5-8-15(14)20(13)3)21-12-10-18-16-9-6-11-19(16)2/h4-5,7-8H,6,9-12H2,1-3H3/b18-16+
chemicalCompound:standardIn...	JNLKGYKHNNAGJO-FBMGVBCBSA-N
chemicalCompound:canonicalS...	CN1CCC/C/1=N\CCSc2c(C)n(C)c3ccccc23
chemicalCompound:molecularF...	C17 H23 N3 S
chemicalCompound:moleculeId	123436
chemicalCompound:mwFreebase	301.45
chemicalCompound:alogp	2.93
chemicalCompound:hba	3
chemicalCompound:hbd	0
chemicalCompound:psa	45.83
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.642
chemicalCompound:acdLogD	2.643
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	301.45
chemicalCompound:acdMostBpk...	12.095
chemicalCompound:chemblId	CHEMBL77346
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:223436
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:130301, activity:130302, activity:130303, activity:130304, activity:130305, activity:130306