842666

Source:http://linkedlifedata.com/resource/chembl/compound/842666

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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/C16H15N3OS/c1-11-6-3-4-8-13(11)17-16-18-15(20)14(21-16)10-12-7-5-9-19(12)2/h3-10H,1-2H3,(H,17,18,20)/b14-10-
chemicalCompound:standardIn...	MXOCRJFHQPCTNY-UVTDQMKNSA-N
chemicalCompound:canonicalS...	Cc1ccccc1NC2=NC(=O)\C(=C\c3cccn3C)\S2
chemicalCompound:molecularF...	C16H15N3OS
chemicalCompound:moleculeId	842666
chemicalCompound:mwFreebase	297.375
chemicalCompound:alogp	3.856
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	71.69
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.016
chemicalCompound:acdLogD	3.016
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	297.375
chemicalCompound:acdMostBpk...	0.409
chemicalCompound:chemblId	CHEMBL1418782
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:942666
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:3615155, activity:3772089, activity:3926529, activity:4009232, activity:4335221, activity:4465160, activity:4603897, activity:4904481, activity:5352973, activity:5682059, activity:5789602, activity:5873132, activity:5966733, activity:6468225, activity:6716435, activity:6777124, activity:7054484, activity:7169097, activity:7232958, activity:7414341, activity:9825125