1088458

Source:http://linkedlifedata.com/resource/chembl/compound/1088458

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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/C20H23FN4O3/c21-16-3-1-14(2-4-16)20(27)24-10-6-17(7-11-24)25-18(5-9-22-25)23-19(26)15-8-12-28-13-15/h1-5,9,15,17H,6-8,10-13H2,(H,23,26)
chemicalCompound:standardIn...	CVPWWDKCSIOQAH-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Fc1ccc(cc1)C(=O)N2CCC(CC2)n3nccc3NC(=O)C4CCOC4
chemicalCompound:molecularF...	C20H23FN4O3
chemicalCompound:moleculeId	1088458
chemicalCompound:mwFreebase	386.42
chemicalCompound:alogp	1
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	76.46
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.67
chemicalCompound:acdLogP	-0.301
chemicalCompound:acdLogD	-0.301
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	386.42
chemicalCompound:acdMostBpk...	2.035
chemicalCompound:chemblId	CHEMBL1707727
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1188458
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:5686670, activity:6464726, activity:6938981, activity:7296186