1142790

Source:http://linkedlifedata.com/resource/chembl/compound/1142790

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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/C19H19N3O4/c1-13-12-17(16-4-2-3-5-18(16)23)21(20-13)19(24)11-8-14-6-9-15(10-7-14)22(25)26/h2-7,9-10,17,23H,8,11-12H2,1H3
chemicalCompound:standardIn...	CPPBWRVQHBHKKI-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC1=NN(C(C1)c2ccccc2O)C(=O)CCc3ccc(cc3)[N+](=O)[O-]
chemicalCompound:molecularF...	C19H19N3O4
chemicalCompound:moleculeId	1142790
chemicalCompound:mwFreebase	353.372
chemicalCompound:alogp	2.885
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	98.72
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	9.793
chemicalCompound:acdLogP	2.157
chemicalCompound:acdLogD	2.155
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	353.372
chemicalCompound:acdMostBpk...	1.225
chemicalCompound:chemblId	CHEMBL1770489
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1242790
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:6182036, activity:6182047, activity:6182058