5406

Source:http://linkedlifedata.com/resource/chembl/compound/5406

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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/C13H12N2S/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H,(H2,14,15,16)
chemicalCompound:standardIn...	FCSHMCFRCYZTRQ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	S=C(Nc1ccccc1)Nc2ccccc2
chemicalCompound:molecularF...	C13 H12 N2 S
chemicalCompound:moleculeId	5406
chemicalCompound:mwFreebase	228.313
chemicalCompound:alogp	4.366
chemicalCompound:hba	1
chemicalCompound:hbd	2
chemicalCompound:psa	56.15
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	12.678
chemicalCompound:acdLogP	2.17
chemicalCompound:acdLogD	2.17
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	228.313
chemicalCompound:chemblId	CHEMBL275260
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:105406
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:277555, activity:277556, activity:277557, activity:4075538, activity:4123059, activity:4809905, activity:4841312, activity:4985643, activity:5054632, activity:6739200, activity:7457910, activity:7854958, activity:7854980, activity:7854994, activity:7855006