122895

Source:http://linkedlifedata.com/resource/chembl/compound/122895

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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/C18H21N3S/c1-3-11-21-14-17(15-7-4-5-8-16(15)21)22-13-10-19-18-9-6-12-20(18)2/h1,4-5,7-8,14H,6,9-13H2,2H3/b19-18+
chemicalCompound:standardIn...	XKDPSZMRZHXURA-VHEBQXMUSA-N
chemicalCompound:canonicalS...	CN1CCC/C/1=N\CCSc2cn(CC#C)c3ccccc23
chemicalCompound:molecularF...	C18 H21 N3 S
chemicalCompound:moleculeId	122895
chemicalCompound:mwFreebase	311.444
chemicalCompound:alogp	3.977
chemicalCompound:hba	3
chemicalCompound:hbd	0
chemicalCompound:psa	45.83
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.798
chemicalCompound:acdLogD	2.799
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	311.444
chemicalCompound:acdMostBpk...	12.065
chemicalCompound:chemblId	CHEMBL306539
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:222895
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:135440, activity:135441, activity:135442, activity:135443, activity:135444, activity:135445