418705

Source:http://linkedlifedata.com/resource/chembl/compound/418705

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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/C39H39Cl2FN4O4/c40-31-14-13-30(34(41)23-31)18-21-44-26-38(49)46(22-19-33(28-7-3-1-4-8-28)29-9-5-2-6-10-29)35(24-37(44)48)39(50)45(25-36(43)47)20-17-27-11-15-32(42)16-12-27/h1-16,23,33,35H,17-22,24-26H2,(H2,43,47)
chemicalCompound:standardIn...	MLHYRMAHHNPTRV-UHFFFAOYSA-N
chemicalCompound:canonicalS...	NC(=O)CN(CCc1ccc(F)cc1)C(=O)C2CC(=O)N(CCc3ccc(Cl)cc3Cl)CC(=O)N2CCC(c4ccccc4)c5ccccc5
chemicalCompound:molecularF...	C39 H39 Cl2 F N4 O4
chemicalCompound:moleculeId	418705
chemicalCompound:mwFreebase	717.656
chemicalCompound:alogp	6.023
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	104.02
chemicalCompound:rtb	14
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	6.905
chemicalCompound:acdLogD	6.905
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	717.656
chemicalCompound:chemblId	CHEMBL400523
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:518705
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:2068331, activity:2068339