879556

Source:http://linkedlifedata.com/resource/chembl/compound/879556

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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:1043899
chemicalCompound:standardIn...	InChI=1S/C18H13Cl4N3O.HNO3/c19-13-2-1-12(16(21)7-13)10-26-24-18(9-25-6-5-23-11-25)15-4-3-14(20)8-17(15)22;2-1(3)4/h1-8,11H,9-10H2;(H,2,3,4)
chemicalCompound:standardIn...	WVNOAGNOIPTWPT-UHFFFAOYSA-N
chemicalCompound:canonicalS...	O[N+](=O)[O-].Clc1ccc(CON=C(Cn2ccnc2)c3ccc(Cl)cc3Cl)c(Cl)c1
chemicalCompound:molecularF...	C18H14Cl4N4O4
chemicalCompound:moleculeId	879556
chemicalCompound:mwFreebase	429.127
chemicalCompound:alogp	5.526
chemicalCompound:hba	3
chemicalCompound:hbd	0
chemicalCompound:psa	39.4
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	6.201
chemicalCompound:acdLogD	6.177
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	492.14
chemicalCompound:acdMostBpk...	6.144
chemicalCompound:chemblId	CHEMBL1455672
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:979556
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:3633179, activity:3769262, activity:4885614