846045

Source:http://linkedlifedata.com/resource/chembl/compound/846045

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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:1043158
chemicalCompound:standardIn...	InChI=1S/C17H19N3O6S.ClH/c1-9(2)19-7-6-10-12(8-19)27-16(14(10)17(22)25-3)18-15(21)11-4-5-13(26-11)20(23)24;/h4-5,9H,6-8H2,1-3H3,(H,18,21);1H
chemicalCompound:standardIn...	YYXLNXSJQBZQNV-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.COC(=O)c1c2CCN(Cc2sc1NC(=O)c3oc(cc3)[N+](=O)[O-])C(C)C
chemicalCompound:molecularF...	C17H20ClN3O6S
chemicalCompound:moleculeId	846045
chemicalCompound:mwFreebase	393.414
chemicalCompound:alogp	2.623
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	145.84
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	10.927
chemicalCompound:acdLogP	2.713
chemicalCompound:acdLogD	2.496
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	429.875
chemicalCompound:acdMostBpk...	7.174
chemicalCompound:chemblId	CHEMBL1422161
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:946045
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:3621511, activity:3656975, activity:3700066, activity:3700324, activity:3767021, activity:3790950, activity:4095070, activity:4127569, activity:4302658, activity:4388746, activity:4432844, activity:4560579, activity:4682364, activity:4698332, activity:4782279, activity:4905887, activity:4929708, activity:4962008, activity:5396935, activity:5405802, activity:5420482, activity:5506808, activity:5507420, activity:5535881, activity:5537345, activity:5648512, activity:5650915, activity:5659427, activity:5781912, activity:5783627, activity:5856358, activity:5863278, activity:5874939, activity:5880793, activity:5960628, activity:6478652, activity:6482664, activity:6773920, activity:6868544, activity:6920174, activity:6977499, activity:7121363, activity:7235286, activity:7285215, activity:7335735, activity:7514829, activity:9787159