1286656

Source:http://linkedlifedata.com/resource/chembl/compound/1286656

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:1329385
chemicalCompound:standardIn...	InChI=1S/C18H14N2O6S.Ca/c1-10-6-7-14(15(8-10)27(24,25)26)19-20-16-12-5-3-2-4-11(12)9-13(17(16)21)18(22)23;/h2-9,21H,1H3,(H,22,23)(H,24,25,26);/q;+2/b20-19+;
chemicalCompound:standardIn...	PZTQVMXMKVTIRC-RZLHGTIFSA-N
chemicalCompound:canonicalS...	[Ca+2].Cc1ccc(N=Nc2c(O)c(cc3ccccc23)C(=O)O)c(c1)S(=O)(=O)O
chemicalCompound:molecularF...	C18H14CaN2O6S
chemicalCompound:moleculeId	1286656
chemicalCompound:mwFreebase	386.379
chemicalCompound:alogp	4.314
chemicalCompound:hba	8
chemicalCompound:hbd	3
chemicalCompound:psa	145
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	-1.129
chemicalCompound:acdLogP	2.581
chemicalCompound:acdLogD	-1.919
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	426.457
chemicalCompound:chemblId	CHEMBL1965365
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1386656
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:8265484, activity:8285060, activity:8334980, activity:8354447, activity:8393736, activity:8435220, activity:8455625, activity:8544465, activity:8636709, activity:8692473, activity:8721365, activity:8736774, activity:8739318, activity:8829776, activity:8840767, activity:8871825, activity:8892374, activity:8955815, activity:9006422, activity:9047973, activity:9136678, activity:9138971, activity:9224121, activity:9256528, activity:9271850, activity:9325262, activity:9332880, activity:9405995, activity:9478152, activity:9489315, activity:9567172, activity:9658037, activity:9751284, activity:9830031, activity:9856641, activity:9898053, activity:9928235, activity:9960771, activity:10002616, activity:10050518, activity:10130761, activity:10214574, activity:10252414, activity:10291437, activity:10319967, activity:10333469, activity:10408268, activity:10449081, activity:10533164, activity:10561096, activity:10637065, activity:10656147, activity:10689372, activity:10744046, activity:10762415