768261

Source:http://linkedlifedata.com/resource/chembl/compound/768261

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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/C20H18N6O2S/c1-2-28-16-7-5-15(6-8-16)22-18(27)13-29-19-10-9-17-23-24-20(26(17)25-19)14-4-3-11-21-12-14/h3-12H,2,13H2,1H3,(H,22,27)
chemicalCompound:standardIn...	FTZHMJZKHMDGMQ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCOc1ccc(NC(=O)CSc2ccc3nnc(c4cccnc4)n3n2)cc1
chemicalCompound:molecularF...	C20H18N6O2S
chemicalCompound:moleculeId	768261
chemicalCompound:mwFreebase	406.461
chemicalCompound:alogp	2.677
chemicalCompound:hba	7
chemicalCompound:hbd	1
chemicalCompound:psa	119.6
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.196
chemicalCompound:acdLogP	3.275
chemicalCompound:acdLogD	3.275
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	406.461
chemicalCompound:acdMostBpk...	2.249
chemicalCompound:chemblId	CHEMBL1344377
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:868261
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:4228351, activity:4628822, activity:5036207, activity:5413910, activity:5570633, activity:5857342, activity:6744262, activity:6914666, activity:7082777, activity:8313968, activity:8334637, activity:10049349