1004568

Source:http://linkedlifedata.com/resource/chembl/compound/1004568

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/C21H16BrN3O6S3/c22-12-4-3-5-13(10-12)23-16(26)11-25-15-7-2-1-6-14(15)17(19(25)27)18-20(28)24(21(32)33-18)8-9-34(29,30)31/h1-7,10H,8-9,11H2,(H,23,26)(H,29,30,31)/b18-17-
chemicalCompound:standardIn...	IQWKHNPYLCUEJX-ZCXUNETKSA-N
chemicalCompound:canonicalS...	OS(=O)(=O)CCN1C(=S)S\C(=C\2/C(=O)N(CC(=O)Nc3cccc(Br)c3)c4ccccc24)\C1=O
chemicalCompound:molecularF...	C21H16BrN3O6S3
chemicalCompound:moleculeId	1004568
chemicalCompound:mwFreebase	582.467
chemicalCompound:alogp	2.957
chemicalCompound:hba	8
chemicalCompound:hbd	2
chemicalCompound:psa	189.86
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	1.369
chemicalCompound:acdLogP	0.959
chemicalCompound:acdLogD	-2.54
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	582.467
chemicalCompound:chemblId	CHEMBL1580684
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1104568
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:3607368, activity:3628749, activity:3927871, activity:3950324, activity:4083092, activity:4237759, activity:4278178, activity:4304859, activity:4319151, activity:4384309, activity:4417286, activity:4557618, activity:4688002, activity:4826222, activity:5067048, activity:5375405, activity:5410678, activity:5416772, activity:5506528, activity:5513514, activity:5516661, activity:5531054, activity:5568887, activity:5572697, activity:5574067, activity:5693767, activity:5747025, activity:5845109, activity:5856745, activity:5957562, activity:5977046, activity:6441794, activity:6555174, activity:6669933, activity:6776821, activity:6802452, activity:6826284, activity:6876163, activity:6885652, activity:7012432, activity:7018661, activity:7039514, activity:7061826, activity:7078487, activity:7395602, activity:7410135, activity:7481714, activity:7539898, activity:10431884