1028831

Source:http://linkedlifedata.com/resource/chembl/compound/1028831

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:1048474
chemicalCompound:standardIn...	InChI=1S/C20H27FN4O3.ClH/c1-3-24-13-15(20(28)22-5-4-10-26)19(27)14-11-16(21)18(12-17(14)24)25-8-6-23(2)7-9-25;/h11-13,26H,3-10H2,1-2H3,(H,22,28);1H
chemicalCompound:standardIn...	AHLLBLAFRINSAO-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.CCN1C=C(C(=O)NCCCO)C(=O)c2cc(F)c(cc12)N3CCN(C)CC3
chemicalCompound:molecularF...	C20H28ClFN4O3
chemicalCompound:moleculeId	1028831
chemicalCompound:mwFreebase	390.452
chemicalCompound:alogp	0.931
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	76.12
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	11.816
chemicalCompound:acdLogP	0.585
chemicalCompound:acdLogD	0.333
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	426.913
chemicalCompound:acdMostBpk...	7.413
chemicalCompound:chemblId	CHEMBL1604947
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1128831
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:4127484, activity:4302583, activity:4682286, activity:5715453, activity:6571442, activity:6604233, activity:6846578, activity:7436382