723487

Source:http://linkedlifedata.com/resource/chembl/compound/723487

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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/C12H11N3OS/c1-2-17-12-15-14-11(16-12)9-7-13-10-6-4-3-5-8(9)10/h3-7,13H,2H2,1H3
chemicalCompound:standardIn...	WNVSGOFIMXFCJR-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCSc1oc(nn1)c2c[nH]c3ccccc23
chemicalCompound:molecularF...	C12H11N3OS
chemicalCompound:moleculeId	723487
chemicalCompound:mwFreebase	245.3
chemicalCompound:alogp	2.854
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	80.01
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.234
chemicalCompound:acdLogD	4.234
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	245.3
chemicalCompound:chemblId	CHEMBL1299603
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:823487
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:3801468, activity:3835093, activity:4206004, activity:4281498, activity:4432934, activity:4538473, activity:4740053, activity:4990705, activity:5012730, activity:5029073, activity:5434395, activity:5534637, activity:5664171, activity:5706151, activity:5869119, activity:6739437, activity:6775207, activity:7162224, activity:7305229, activity:7407030, activity:7530118