365124

Source:http://linkedlifedata.com/resource/chembl/compound/365124

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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/C18H20N2O5/c1-4-23-17(21)12(9-19)14-11-8-10(3)6-7-13(11)25-16(20)15(14)18(22)24-5-2/h6-8,12,14H,4-5,20H2,1-3H3
chemicalCompound:standardIn...	TUBRNFIFFYPWSN-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCOC(=O)C(C#N)C1C(=C(N)Oc2ccc(C)cc12)C(=O)OCC
chemicalCompound:molecularF...	C18 H20 N2 O5
chemicalCompound:moleculeId	365124
chemicalCompound:mwFreebase	344.362
chemicalCompound:alogp	2.249
chemicalCompound:hba	7
chemicalCompound:hbd	1
chemicalCompound:psa	111.64
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	4.114
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	344.362
chemicalCompound:acdMostBpk...	3.815
chemicalCompound:chemblId	CHEMBL220350
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:465124
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:1797458, activity:1797465, activity:1797472, activity:1797482, activity:1797492, activity:1797502, activity:1797512, activity:1797521