18691

Source:http://linkedlifedata.com/resource/chembl/compound/18691

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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/C20H22N4O4/c1-3-11-23-18-16(19(27)24(12-4-2)20(23)28)21-17(22-18)14-8-5-13(6-9-14)7-10-15(25)26/h5-10H,3-4,11-12H2,1-2H3,(H,21,22)(H,25,26)/b10-7+
chemicalCompound:standardIn...	UGCOFEOEBHUEHA-JXMROGBWSA-N
chemicalCompound:canonicalS...	CCCN1C(=O)N(CCC)c2[nH]c(nc2C1=O)c3ccc(\C=C\C(=O)O)cc3
chemicalCompound:molecularF...	C20 H22 N4 O4
chemicalCompound:moleculeId	18691
chemicalCompound:mwFreebase	382.413
chemicalCompound:alogp	3.184
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	106.6
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	4.288
chemicalCompound:acdLogP	2.281
chemicalCompound:acdLogD	-0.733
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	382.413
chemicalCompound:acdMostBpk...	0.984
chemicalCompound:chemblId	CHEMBL16997
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:118691
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:45714, activity:45715, activity:45716, activity:45717, activity:45718, activity:45719, activity:45720, activity:45721, activity:45722, activity:45723, activity:574260, activity:574261, activity:574262, activity:574263, activity:574264, activity:810368, activity:810369, activity:810370, activity:810371, activity:810372, activity:810373, activity:810374