842622

Source:http://linkedlifedata.com/resource/chembl/compound/842622

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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/C18H21ClN4O4/c1-11(2)17-16(23(25)26)15(20-27-17)18(24)22-8-6-21(7-9-22)14-10-13(19)5-4-12(14)3/h4-5,10-11H,6-9H2,1-3H3
chemicalCompound:standardIn...	RPQISZGFRAQPFS-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)c1onc(C(=O)N2CCN(CC2)c3cc(Cl)ccc3C)c1[N+](=O)[O-]
chemicalCompound:molecularF...	C18H21ClN4O4
chemicalCompound:moleculeId	842622
chemicalCompound:mwFreebase	392.837
chemicalCompound:alogp	4.075
chemicalCompound:hba	5
chemicalCompound:hbd	0
chemicalCompound:psa	95.4
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	3.861
chemicalCompound:acdLogD	3.861
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	392.837
chemicalCompound:acdMostBpk...	1.058
chemicalCompound:chemblId	CHEMBL1418738
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:942622
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:3832923, activity:4080675, activity:4732014, activity:5574234, activity:5685719, activity:6566412, activity:7054453, activity:7161779