213481

Source:http://linkedlifedata.com/resource/chembl/compound/213481

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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/C14H11Cl2N5O2S2/c1-7-4-12(11(24)5-9(7)16)25(22,23)21-14-18-13(19-20-14)10-3-2-8(15)6-17-10/h2-6,24H,1H3,(H2,18,19,20,21)
chemicalCompound:standardIn...	CBESXGIJMIPHAO-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1cc(c(S)cc1Cl)S(=O)(=O)Nc2n[nH]c(n2)c3ccc(Cl)cn3
chemicalCompound:molecularF...	C14 H11 Cl2 N5 O2 S2
chemicalCompound:moleculeId	213481
chemicalCompound:mwFreebase	416.305
chemicalCompound:alogp	3.976
chemicalCompound:hba	6
chemicalCompound:hbd	3
chemicalCompound:psa	147.81
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	4.664
chemicalCompound:acdLogP	4.364
chemicalCompound:acdLogD	0.53
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	416.305
chemicalCompound:chemblId	CHEMBL129120
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:313481
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:867478, activity:867479, activity:8248756, activity:8294529, activity:8344518, activity:8378507, activity:8398667, activity:8475719, activity:8558685, activity:8560583, activity:8621008, activity:8637111, activity:8708811, activity:8741752, activity:8748787, activity:8845892, activity:8861806, activity:8872632, activity:8902045, activity:8940764, activity:9045189, activity:9075446, activity:9121853, activity:9141749, activity:9157362, activity:9265975, activity:9268003, activity:9334575, activity:9404084, activity:9406684, activity:9483136, activity:9489928, activity:9526149, activity:9658588, activity:9737023, activity:9760840, activity:9830595, activity:9866089, activity:9907502, activity:9937492, activity:9974546, activity:9979190, activity:10037929, activity:10055413, activity:10141962, activity:10153161, activity:10228272, activity:10257282, activity:10281377, activity:10347069, activity:10402546, activity:10417545, activity:10472331, activity:10650387, activity:10656672, activity:10674277, activity:10756278, activity:10771768