355611

Source:http://linkedlifedata.com/resource/chembl/compound/355611

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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/C21H14N2O4S/c1-28(27)16-5-3-2-4-11(16)12-9-15-17(19-18(12)20(25)23-21(19)26)13-8-10(24)6-7-14(13)22-15/h2-9,22,24H,1H3,(H,23,25,26)
chemicalCompound:standardIn...	WLMOSNVAIZRWBL-UHFFFAOYSA-N
chemicalCompound:canonicalS...	C[S+]([O-])c1ccccc1c2cc3[nH]c4ccc(O)cc4c3c5C(=O)NC(=O)c25
chemicalCompound:molecularF...	C21H14N2O4S
chemicalCompound:moleculeId	355611
chemicalCompound:mwFreebase	390.412
chemicalCompound:alogp	3.173
chemicalCompound:hba	4
chemicalCompound:hbd	3
chemicalCompound:psa	118.47
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	-6.359
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	390.412
chemicalCompound:chemblId	CHEMBL209785
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:455611
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:1752386, activity:1752648, activity:1752751, activity:2233637, activity:2233734, activity:2308332, activity:2308501