305180

Source:http://linkedlifedata.com/resource/chembl/compound/305180

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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/C20H15N3O5/c1-21-15-7-6-12(18(21)24)16-17(15)20(26)22(19(16)25)13-8-9-14(23(27)28)11-5-3-2-4-10(11)13/h2-9,12,15-17H,1H3/t12?,15?,16-,17+/m1/s1
chemicalCompound:standardIn...	AWUASRQQAQTHGV-ULNHQPMUSA-N
chemicalCompound:canonicalS...	CN1C2C=CC([C@@H]3[C@H]2C(=O)N(C3=O)c4ccc(c5ccccc45)[N+](=O)[O-])C1=O
chemicalCompound:molecularF...	C20 H15 N3 O5
chemicalCompound:moleculeId	305180
chemicalCompound:mwFreebase	377.35
chemicalCompound:alogp	1.174
chemicalCompound:hba	5
chemicalCompound:hbd	0
chemicalCompound:psa	103.51
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	3.871
chemicalCompound:acdLogD	3.871
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	377.35
chemicalCompound:chemblId	CHEMBL183173
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:405180
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:1435439, activity:1435440, activity:1435441, activity:1435442, activity:1435443