205908

Source:http://linkedlifedata.com/resource/chembl/compound/205908

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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/C38H40F2N4O8/c1-41-35(47)29(25-15-9-17-27(39)19-25)43-37(49)33(51-21-23-11-5-3-6-12-23)31(45)32(46)34(52-22-24-13-7-4-8-14-24)38(50)44-30(36(48)42-2)26-16-10-18-28(40)20-26/h3-20,29-34,45-46H,21-22H2,1-2H3,(H,41,47)(H,42,48)(H,43,49)(H,44,50)/t29?,30?,31-,32-,33-,34-/m1/s1
chemicalCompound:standardIn...	ZLURWBVMXHZATQ-YRSICMOKSA-N
chemicalCompound:canonicalS...	CNC(=O)C(NC(=O)[C@H](OCc1ccccc1)[C@H](O)[C@@H](O)[C@@H](OCc2ccccc2)C(=O)NC(C(=O)NC)c3cccc(F)c3)c4cccc(F)c4
chemicalCompound:molecularF...	C38 H40 F2 N4 O8
chemicalCompound:moleculeId	205908
chemicalCompound:mwFreebase	718.743
chemicalCompound:alogp	2.423
chemicalCompound:hba	8
chemicalCompound:hbd	6
chemicalCompound:psa	175.31
chemicalCompound:rtb	17
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.614
chemicalCompound:acdLogP	6.649
chemicalCompound:acdLogD	6.647
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	718.743
chemicalCompound:chemblId	CHEMBL333286
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:305908
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:342717, activity:342718