6030

Source:http://linkedlifedata.com/resource/chembl/compound/6030

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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/C17H19N3OS/c1-21-14-5-9-16(10-6-14)22-15-7-3-13(4-8-15)20-17-18-11-2-12-19-17/h3-10H,2,11-12H2,1H3,(H2,18,19,20)
chemicalCompound:standardIn...	SUHUGKVYERTBOD-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccc(Sc2ccc(NC3=NCCCN3)cc2)cc1
chemicalCompound:molecularF...	C17 H19 N3 O S
chemicalCompound:moleculeId	6030
chemicalCompound:mwFreebase	313.417
chemicalCompound:alogp	3.189
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	70.95
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.975
chemicalCompound:acdLogD	1
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	313.417
chemicalCompound:acdMostBpk...	11.951
chemicalCompound:chemblId	CHEMBL10024
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:106030
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:636084