1105338

Source:http://linkedlifedata.com/resource/chembl/compound/1105338

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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/C18H19FN4OS/c19-14-3-1-13(2-4-14)15-11-25-18-16(15)17(20-12-21-18)23-7-5-22(6-8-23)9-10-24/h1-4,11-12,24H,5-10H2
chemicalCompound:standardIn...	VNOOJQARAKAQEH-UHFFFAOYSA-N
chemicalCompound:canonicalS...	OCCN1CCN(CC1)c2ncnc3scc(c4ccc(F)cc4)c23
chemicalCompound:molecularF...	C18H19FN4OS
chemicalCompound:moleculeId	1105338
chemicalCompound:mwFreebase	358.433
chemicalCompound:alogp	2.335
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	80.72
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.392
chemicalCompound:acdLogD	2.183
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	358.433
chemicalCompound:acdMostBpk...	7.163
chemicalCompound:chemblId	CHEMBL1724607
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1205338
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:5559067, activity:5626038, activity:5949421, activity:6460877, activity:9967723