399406

Source:http://linkedlifedata.com/resource/chembl/compound/399406

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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/C17H15N3OS/c1-2-11-8-9-14-13(10-11)17(16(21)18-14)20-19-15(22-17)12-6-4-3-5-7-12/h3-10,20H,2H2,1H3,(H,18,21)
chemicalCompound:standardIn...	ICJWVAKZQXYHBB-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCc1ccc2NC(=O)C3(NN=C(S3)c4ccccc4)c2c1
chemicalCompound:molecularF...	C17 H15 N3 O S
chemicalCompound:moleculeId	399406
chemicalCompound:mwFreebase	309.385
chemicalCompound:alogp	3.554
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	78.78
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.704
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	309.385
chemicalCompound:chemblId	CHEMBL391123
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:499406
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:1985189, activity:3621162, activity:3631463, activity:3766280, activity:3787945, activity:3798315, activity:3873951, activity:3942596, activity:4080867, activity:4108956, activity:4131903, activity:4206759, activity:4300904, activity:4335371, activity:4359090, activity:4388305, activity:4429808, activity:4539944, activity:4586203, activity:4674555, activity:4753559, activity:4754050, activity:4763345, activity:4803625, activity:4817548, activity:4839469, activity:4921560, activity:5360654, activity:5392621, activity:5430115, activity:5504694, activity:5534454, activity:5542464, activity:5581779, activity:5688077, activity:5776597, activity:5799745, activity:6453935, activity:6540295, activity:6755828, activity:6866120, activity:7033474, activity:7187691, activity:7240154, activity:7421847, activity:7446359, activity:7522792, activity:10033170, activity:10410675