310424

Source:http://linkedlifedata.com/resource/chembl/compound/310424

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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/C39H40BrN5O5/c1-44(2)19-4-22-49-33-13-10-26(11-14-33)36(39(48)45-20-17-41-18-21-45)43-38(47)35-16-15-34(50-35)29-5-3-6-32(25-29)42-37(46)30-8-7-28-24-31(40)12-9-27(28)23-30/h3,5-16,23-25,36,41H,4,17-22H2,1-2H3,(H,42,46)(H,43,47)
chemicalCompound:standardIn...	QOVORVCMPAUEEK-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN(C)CCCOc1ccc(cc1)C(NC(=O)c2oc(cc2)c3cccc(NC(=O)c4ccc5cc(Br)ccc5c4)c3)C(=O)N6CCNCC6
chemicalCompound:molecularF...	C39 H40 Br N5 O5
chemicalCompound:moleculeId	310424
chemicalCompound:mwFreebase	738.669
chemicalCompound:alogp	5.275
chemicalCompound:hba	6
chemicalCompound:hbd	3
chemicalCompound:psa	116.15
chemicalCompound:rtb	12
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.619
chemicalCompound:acdLogP	3.95
chemicalCompound:acdLogD	1.644
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	738.669
chemicalCompound:acdMostBpk...	9.331
chemicalCompound:chemblId	CHEMBL186348
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:410424
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:1456821, activity:1456822, activity:1456823