418704

Source:http://linkedlifedata.com/resource/chembl/compound/418704

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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/C39H38Cl4N4O4/c40-30-13-11-28(33(42)21-30)15-18-45-25-38(50)47(20-17-32(26-7-3-1-4-8-26)27-9-5-2-6-10-27)35(23-37(45)49)39(51)46(24-36(44)48)19-16-29-12-14-31(41)22-34(29)43/h1-14,21-22,32,35H,15-20,23-25H2,(H2,44,48)
chemicalCompound:standardIn...	YSUHYGYGQFSKDT-UHFFFAOYSA-N
chemicalCompound:canonicalS...	NC(=O)CN(CCc1ccc(Cl)cc1Cl)C(=O)C2CC(=O)N(CCc3ccc(Cl)cc3Cl)CC(=O)N2CCC(c4ccccc4)c5ccccc5
chemicalCompound:molecularF...	C39 H38 Cl4 N4 O4
chemicalCompound:moleculeId	418704
chemicalCompound:mwFreebase	768.555
chemicalCompound:alogp	7.146
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	104.02
chemicalCompound:rtb	14
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	7.985
chemicalCompound:acdLogD	7.985
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	768.555
chemicalCompound:chemblId	CHEMBL252122
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:518704
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:2068322, activity:2068323, activity:2068341, activity:2068343, activity:2068345, activity:2068346, activity:2068347, activity:2068348, activity:2068349, activity:2068350, activity:2068351, activity:2068352, activity:2068353, activity:2068354