799627

Source:http://linkedlifedata.com/resource/chembl/compound/799627

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:33664
chemicalCompound:standardIn...	InChI=1S/C21H21ClN4OS.ClH.H2O/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21;;/h1-4,11,13H,5-10,12H2,(H,23,27);1H;1H2
chemicalCompound:standardIn...	ZCBZSCBNOOIHFP-UHFFFAOYSA-N
chemicalCompound:canonicalS...	O.Cl.Clc1cc2NC(=O)Cc2cc1CCN3CCN(CC3)c4nsc5ccccc45
chemicalCompound:molecularF...	C21H24Cl2N4O2S
chemicalCompound:moleculeId	799627
chemicalCompound:mwFreebase	412.936
chemicalCompound:alogp	3.639
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	76.71
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.344
chemicalCompound:acdLogP	2.973
chemicalCompound:acdLogD	2.292
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	467.412
chemicalCompound:acdMostBpk...	8.254
chemicalCompound:chemblId	CHEMBL1375743
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:899627
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:32314
chemicalCompound:activity	activity:3809843, activity:3855027, activity:4787559, activity:5337536, activity:5507975, activity:5571099, activity:5762531, activity:5795956, activity:5851564, activity:5976232, activity:6435291, activity:6457300, activity:6789529, activity:7065573, activity:7456555, activity:7457321, activity:7504514, activity:7553615, activity:10063332