1275798

Source:http://linkedlifedata.com/resource/chembl/compound/1275798

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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:1284630
chemicalCompound:standardIn...	InChI=1S/C21H28N4O5.C2HF3O2/c1-4-23-21(29)18-17(24-20(28)12-5-7-22-8-6-12)19(30-25-18)14-9-13(11(2)3)15(26)10-16(14)27;3-2(4,5)1(6)7/h9-12,22,26-27H,4-8H2,1-3H3,(H,23,29)(H,24,28);(H,6,7)
chemicalCompound:standardIn...	ADWQXAVRRYTPRI-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCNC(=O)c1noc(c1NC(=O)C2CCNCC2)c3cc(C(C)C)c(O)cc3O.OC(=O)C(F)(F)F
chemicalCompound:molecularF...	C23H29F3N4O7
chemicalCompound:moleculeId	1275798
chemicalCompound:mwFreebase	416.471
chemicalCompound:alogp	2
chemicalCompound:hba	6
chemicalCompound:hbd	5
chemicalCompound:psa	136.72
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.242
chemicalCompound:acdLogP	2.138
chemicalCompound:acdLogD	-0.17
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	530.494
chemicalCompound:acdMostBpk...	9.758
chemicalCompound:chemblId	CHEMBL1940939
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1375798
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:8007379, activity:8007456