711302

Source:http://linkedlifedata.com/resource/chembl/compound/711302

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C22H20N4O4S/c1-14(27)16-5-7-17(8-6-16)23-20(28)13-31-22-25-24-21(19-9-11-29-15(19)2)26(22)12-18-4-3-10-30-18/h3-11H,12-13H2,1-2H3,(H,23,28)
chemicalCompound:standardIn...	GRZDJCMOKSXERZ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(=O)c1ccc(NC(=O)CSc2nnc(c3ccoc3C)n2Cc4occc4)cc1
chemicalCompound:molecularF...	C22H20N4O4S
chemicalCompound:moleculeId	711302
chemicalCompound:mwFreebase	436.484
chemicalCompound:alogp	2.799
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	128.46
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.419
chemicalCompound:acdLogP	3.72
chemicalCompound:acdLogD	3.72
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	436.484
chemicalCompound:acdMostBpk...	0.306
chemicalCompound:chemblId	CHEMBL1272043
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:811302
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:3531440, activity:3531472