352423

Source:http://linkedlifedata.com/resource/chembl/compound/352423

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:352423_PSB-601_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C25H28N6O4S/c1-2-12-31-24(32)21-23(28-25(31)33)27-22(26-21)19-8-10-20(11-9-19)36(34,35)30-15-13-29(14-16-30)17-18-6-4-3-5-7-18/h3-11H,2,12-17H2,1H3,(H,26,27)(H,28,33)
chemicalCompound:standardIn...	HHNGYTVWOXXKET-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCN1C(=O)Nc2nc([nH]c2C1=O)c3ccc(cc3)S(=O)(=O)N4CCN(Cc5ccccc5)CC4
chemicalCompound:molecularF...	C25H28N6O4S
chemicalCompound:moleculeId	352423
chemicalCompound:mwFreebase	508.593
chemicalCompound:alogp	2.943
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	127.08
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	7.368
chemicalCompound:acdLogP	3.996
chemicalCompound:acdLogD	2.002
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	508.593
chemicalCompound:acdMostBpk...	5.242
chemicalCompound:chemblId	CHEMBL212625
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:452423
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:1742816, activity:1742817, activity:1742819, activity:1742820, activity:1742821, activity:1742823, activity:1742826, activity:1742828, activity:1742831, activity:1742833, activity:2635286, activity:2635316, activity:2635346, activity:2635376, activity:2635435, activity:2635482, activity:2635483, activity:2635512, activity:2635521, activity:2635529, activity:2635537, activity:2635544, activity:2636247, activity:2636277, activity:2636289, activity:3371852, activity:3371853, activity:3371854, activity:3371855