842680

Source:http://linkedlifedata.com/resource/chembl/compound/842680

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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/C19H16N2O4S2/c1-8-7-19(3,4)21-14-11(8)5-10(25-9(2)22)6-12(14)13(17(21)24)15-16(23)20-18(26)27-15/h5-7H,1-4H3,(H,20,23,26)/b15-13-
chemicalCompound:standardIn...	SKCXBEBNJYIATC-SQFISAMPSA-N
chemicalCompound:canonicalS...	CC(=O)Oc1cc2C(=CC(C)(C)N3C(=O)\C(=C\4/SC(=S)NC4=O)\c(c1)c23)C
chemicalCompound:molecularF...	C19H16N2O4S2
chemicalCompound:moleculeId	842680
chemicalCompound:mwFreebase	400.471
chemicalCompound:alogp	2.98
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	133.1
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	3.33
chemicalCompound:acdLogP	1.929
chemicalCompound:acdLogD	-0.067
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	400.471
chemicalCompound:chemblId	CHEMBL1418796
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:942680
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:3926578, activity:3954934, activity:4009413, activity:4277650, activity:4359060, activity:4512252, activity:4520915, activity:4586188, activity:4753551, activity:4839328, activity:4847887, activity:4904535, activity:4910928, activity:4990305, activity:5358746, activity:5564311, activity:5686963, activity:5798721, activity:5967535, activity:6435087, activity:6450202, activity:6462489, activity:6671617, activity:6752061, activity:6897860, activity:6985064, activity:7257702, activity:9967596