31023

Source:http://linkedlifedata.com/resource/chembl/compound/31023

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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/C16H13ClN2OS/c1-18-16(20)14-15(21-11-5-3-2-4-6-11)12-9-10(17)7-8-13(12)19-14/h2-9,19H,1H3,(H,18,20)
chemicalCompound:standardIn...	BEAHKSVMGOSPPN-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CNC(=O)c1[nH]c2ccc(Cl)cc2c1Sc3ccccc3
chemicalCompound:molecularF...	C16 H13 Cl N2 O S
chemicalCompound:moleculeId	31023
chemicalCompound:mwFreebase	316.805
chemicalCompound:alogp	4.405
chemicalCompound:hba	2
chemicalCompound:hbd	2
chemicalCompound:psa	70.19
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.285
chemicalCompound:acdLogP	3.303
chemicalCompound:acdLogD	3.303
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	316.805
chemicalCompound:chemblId	CHEMBL23456
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:131023
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:516341, activity:516342