999656

Source:http://linkedlifedata.com/resource/chembl/compound/999656

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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/C20H17N3O3S2/c24-17(21-11-15-7-4-9-26-15)13-28-20-22-16-8-10-27-18(16)19(25)23(20)12-14-5-2-1-3-6-14/h1-10H,11-13H2,(H,21,24)
chemicalCompound:standardIn...	BNABOEWFWSCFTJ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	O=C(CSC1=Nc2ccsc2C(=O)N1Cc3ccccc3)NCc4occc4
chemicalCompound:molecularF...	C20H17N3O3S2
chemicalCompound:moleculeId	999656
chemicalCompound:mwFreebase	411.497
chemicalCompound:alogp	3.598
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	128.44
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.614
chemicalCompound:acdLogP	3.14
chemicalCompound:acdLogD	3.14
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	411.497
chemicalCompound:chemblId	CHEMBL1575772
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1099656
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:3925605, activity:4128368, activity:4333533, activity:4525391, activity:4620141, activity:4797745, activity:5412997, activity:5498338, activity:5865159, activity:6749126, activity:7147828