705767

Source:http://linkedlifedata.com/resource/chembl/compound/705767

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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:352494
chemicalCompound:standardIn...	InChI=1S/C12H12ClN7O.CH4O3S/c13-8-10(15)19-9(14)7(18-8)11(21)20-12(16)17-6-4-2-1-3-5-6;1-5(2,3)4/h1-5H,(H4,14,15,19)(H3,16,17,20,21);1H3,(H,2,3,4)
chemicalCompound:standardIn...	MHPIZTURFVSLTJ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CS(=O)(=O)O.Nc1nc(N)c(nc1Cl)C(=O)NC(=N)Nc2ccccc2
chemicalCompound:molecularF...	C13H16ClN7O4S
chemicalCompound:moleculeId	705767
chemicalCompound:mwFreebase	305.723
chemicalCompound:alogp	1.035
chemicalCompound:hba	6
chemicalCompound:hbd	5
chemicalCompound:psa	142.79
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	6.652
chemicalCompound:acdLogP	2.8
chemicalCompound:acdLogD	2.003
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	401.829
chemicalCompound:acdMostBpk...	5.092
chemicalCompound:chemblId	CHEMBL1256775
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:805767
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:3473391, activity:3481336, activity:3481356, activity:3481483, activity:3481522, activity:3481600, activity:3482445, activity:3649392, activity:3671864, activity:3687639, activity:3695180, activity:3705654, activity:3772523, activity:3779289, activity:3865209, activity:3897157, activity:3940483, activity:3975786, activity:3988070, activity:4084717, activity:4131638, activity:4144295, activity:4278525, activity:4331469, activity:4358275, activity:4402453, activity:4519161, activity:4535838, activity:4538201, activity:4589012, activity:4633542, activity:4711854, activity:4723580, activity:4784098, activity:4803452, activity:4809335, activity:4853862, activity:4861251, activity:4897973, activity:4966378, activity:4973986, activity:4997933, activity:5016667, activity:5061279, activity:5066642, activity:5070346, activity:5571907, activity:5685243, activity:5856651, activity:5875932, activity:5983439, activity:6000938, activity:6017842, activity:6031804, activity:6038580, activity:6067315, activity:6460656, activity:6729429, activity:6782803, activity:6858506, activity:7008924, activity:7051510, activity:7314163, activity:7434908, activity:7454641