213358

Source:http://linkedlifedata.com/resource/chembl/compound/213358

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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/C14H12ClN3O2S2/c1-8-6-13(12(21)7-9(8)15)22(19,20)18-14-16-10-4-2-3-5-11(10)17-14/h2-7,21H,1H3,(H2,16,17,18)
chemicalCompound:standardIn...	PJORYKXENKUDFV-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1cc(c(S)cc1Cl)S(=O)(=O)Nc2nc3ccccc3[nH]2
chemicalCompound:molecularF...	C14 H12 Cl N3 O2 S2
chemicalCompound:moleculeId	213358
chemicalCompound:mwFreebase	353.847
chemicalCompound:alogp	3.885
chemicalCompound:hba	4
chemicalCompound:hbd	3
chemicalCompound:psa	122.02
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	4.712
chemicalCompound:acdLogP	3.724
chemicalCompound:acdLogD	1.07
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	353.847
chemicalCompound:acdMostBpk...	4.136
chemicalCompound:chemblId	CHEMBL128850
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:313358
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:875994, activity:875995, activity:6323089, activity:6323166, activity:8234538, activity:8295329, activity:8347032, activity:8379253, activity:8416422, activity:8458751, activity:8496469, activity:8543443, activity:8559248, activity:8612913, activity:8682976, activity:8702712, activity:8729185, activity:8736158, activity:8833153, activity:8873313, activity:8938029, activity:8978694, activity:9007858, activity:9041447, activity:9075921, activity:9091599, activity:9133866, activity:9158094, activity:9255526, activity:9266798, activity:9326737, activity:9395970, activity:9398573, activity:9475145, activity:9477726, activity:9514376, activity:9650686, activity:9761565, activity:9789854, activity:9818696, activity:9871070, activity:9908269, activity:9975332, activity:9984230, activity:10003929, activity:10112193, activity:10147245, activity:10149291, activity:10186931, activity:10224751, activity:10286304, activity:10318492, activity:10352188, activity:10375720, activity:10398767, activity:10468986, activity:10487456, activity:10562330, activity:10674950, activity:10720835, activity:10772527, activity:10809214