994842

Source:http://linkedlifedata.com/resource/chembl/compound/994842

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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/C15H16N6O5S/c1-3-11(22)25-7-5-16-9-8-10(27-15-17-4-6-20(15)2)12-13(19-26-18-12)14(9)21(23)24/h4,6,8,16H,3,5,7H2,1-2H3
chemicalCompound:standardIn...	INGBPGPHKBRDPO-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCC(=O)OCCNc1cc(Sc2nccn2C)c3nonc3c1[N+](=O)[O-]
chemicalCompound:molecularF...	C15H16N6O5S
chemicalCompound:moleculeId	994842
chemicalCompound:mwFreebase	392.39
chemicalCompound:alogp	2.362
chemicalCompound:hba	9
chemicalCompound:hbd	1
chemicalCompound:psa	166.19
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	3.46
chemicalCompound:acdLogD	3.46
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	392.39
chemicalCompound:acdMostBpk...	2.706
chemicalCompound:chemblId	CHEMBL1570958
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1094842
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:3647037, activity:3748238, activity:3856981, activity:3955355, activity:3969218, activity:4007625, activity:4028594, activity:4081161, activity:4095567, activity:4108392, activity:4241880, activity:4320904, activity:4340018, activity:4387180, activity:4401095, activity:4416534, activity:4555046, activity:4683776, activity:4720576, activity:4733713, activity:4764259, activity:4766645, activity:4825832, activity:4932717, activity:5329456, activity:5329988, activity:5420364, activity:5536041, activity:5556054, activity:5564151, activity:5572155, activity:5693373, activity:5737899, activity:5777923, activity:5863979, activity:5877829, activity:5975171, activity:5976895, activity:6440406, activity:6555151, activity:6683641, activity:6769497, activity:6772990, activity:6798491, activity:6853854, activity:6970941, activity:6991368, activity:7031691, activity:7112409, activity:7249719, activity:7253632, activity:7351344, activity:7391851, activity:7465202, activity:7470149, activity:8291847, activity:9804287, activity:9996131, activity:10259010, activity:10267752, activity:10401988, activity:10439480, activity:10446356, activity:10625555, activity:10801498