1112851

Source:http://linkedlifedata.com/resource/chembl/compound/1112851

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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/C27H26ClN3O4S/c28-21-7-5-6-19(16-21)18-31-23-17-20(26(32)29-12-15-30-13-3-4-14-30)10-11-25(23)36(34,35)24-9-2-1-8-22(24)27(31)33/h1-2,5-11,16-17H,3-4,12-15,18H2,(H,29,32)
chemicalCompound:standardIn...	SHWPPKSCXNRYRF-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Clc1cccc(CN2C(=O)c3ccccc3S(=O)(=O)c4ccc(cc24)C(=O)NCCN5CCCC5)c1
chemicalCompound:molecularF...	C27H26ClN3O4S
chemicalCompound:moleculeId	1112851
chemicalCompound:mwFreebase	524.031
chemicalCompound:alogp	4.148
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	95.16
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.815
chemicalCompound:acdLogP	4.126
chemicalCompound:acdLogD	2.227
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	524.031
chemicalCompound:acdMostBpk...	9.081
chemicalCompound:chemblId	CHEMBL1732120
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1212851
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:5405936, activity:5924926, activity:6462500, activity:6701450, activity:7028753, activity:7097860