33934

Source:http://linkedlifedata.com/resource/chembl/compound/33934

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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/C16H18ClN3O4/c1-2-3-8-14-18-16(17)13(9-15(21)22)19(14)10-11-6-4-5-7-12(11)20(23)24/h4-7H,2-3,8-10H2,1H3,(H,21,22)
chemicalCompound:standardIn...	YWCAWHQYKZOIJJ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCCc1nc(Cl)c(CC(=O)O)n1Cc2ccccc2[N+](=O)[O-]
chemicalCompound:molecularF...	C16 H18 Cl N3 O4
chemicalCompound:moleculeId	33934
chemicalCompound:mwFreebase	351.785
chemicalCompound:alogp	4.07
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	100.94
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	3.567
chemicalCompound:acdLogP	2.867
chemicalCompound:acdLogD	-0.275
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	351.785
chemicalCompound:acdMostBpk...	4.8
chemicalCompound:chemblId	CHEMBL24952
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:133934
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:657449