310415

Source:http://linkedlifedata.com/resource/chembl/compound/310415

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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/C35H37Cl2N5O5/c1-41(2)17-4-20-46-27-10-7-23(8-11-27)32(35(45)42-18-15-38-16-19-42)40-34(44)31-14-13-30(47-31)24-5-3-6-26(21-24)39-33(43)25-9-12-28(36)29(37)22-25/h3,5-14,21-22,32,38H,4,15-20H2,1-2H3,(H,39,43)(H,40,44)
chemicalCompound:standardIn...	AWOAPOKTAFLQRU-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN(C)CCCOc1ccc(cc1)C(NC(=O)c2oc(cc2)c3cccc(NC(=O)c4ccc(Cl)c(Cl)c4)c3)C(=O)N5CCNCC5
chemicalCompound:molecularF...	C35 H37 Cl2 N5 O5
chemicalCompound:moleculeId	310415
chemicalCompound:mwFreebase	678.605
chemicalCompound:alogp	4.947
chemicalCompound:hba	6
chemicalCompound:hbd	3
chemicalCompound:psa	116.15
chemicalCompound:rtb	12
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.656
chemicalCompound:acdLogP	3.112
chemicalCompound:acdLogD	0.806
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	678.605
chemicalCompound:acdMostBpk...	9.331
chemicalCompound:chemblId	CHEMBL366092
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:410415
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:1456809, activity:1456810, activity:1456811