15523

Source:http://linkedlifedata.com/resource/chembl/compound/15523

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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/C18H22FN3O3/c1-18(2,3)22-9-12(17(24)25)16(23)11-6-13(19)15(7-14(11)22)21-5-4-10(20)8-21/h6-7,9-10H,4-5,8,20H2,1-3H3,(H,24,25)
chemicalCompound:standardIn...	NGPPAXOOFVLFNT-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)(C)N1C=C(C(=O)O)C(=O)c2cc(F)c(cc12)N3CCC(N)C3
chemicalCompound:molecularF...	C18 H22 F N3 O3
chemicalCompound:moleculeId	15523
chemicalCompound:mwFreebase	347.384
chemicalCompound:alogp	-0.943
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	86.87
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	6.467
chemicalCompound:acdLogP	2.825
chemicalCompound:acdLogD	0.374
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	347.384
chemicalCompound:acdMostBpk...	9.304
chemicalCompound:chemblId	CHEMBL280036
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:115523
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:71452, activity:265646, activity:265647, activity:265648, activity:265649, activity:265650, activity:265651, activity:265652