123520

Source:http://linkedlifedata.com/resource/chembl/compound/123520

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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/C18H25N3OS/c1-20-10-5-8-18(20)19-9-13-23-17-14-21(11-12-22-2)16-7-4-3-6-15(16)17/h3-4,6-7,14H,5,8-13H2,1-2H3/b19-18+
chemicalCompound:standardIn...	ZXGOFEDPYQHUCF-VHEBQXMUSA-N
chemicalCompound:canonicalS...	COCCn1cc(SCC\N=C\2/CCCN2C)c3ccccc13
chemicalCompound:molecularF...	C18 H25 N3 O S
chemicalCompound:moleculeId	123520
chemicalCompound:mwFreebase	331.476
chemicalCompound:alogp	2.654
chemicalCompound:hba	4
chemicalCompound:hbd	0
chemicalCompound:psa	55.06
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.979
chemicalCompound:acdLogD	1.98
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	331.476
chemicalCompound:acdMostBpk...	12.083
chemicalCompound:chemblId	CHEMBL307848
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:223520
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:134136, activity:134137, activity:134138, activity:134139, activity:134140, activity:134141