171176

Source:http://linkedlifedata.com/resource/chembl/compound/171176

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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/C38H36F4N2O8/c39-23-9-11-27(41)21(13-23)17-51-35(37(49)43-31-25-7-3-1-5-19(25)15-29(31)45)33(47)34(48)36(52-18-22-14-24(40)10-12-28(22)42)38(50)44-32-26-8-4-2-6-20(26)16-30(32)46/h1-14,29-36,45-48H,15-18H2,(H,43,49)(H,44,50)/t29-,30-,31+,32?,33-,34-,35-,36-/m1/s1
chemicalCompound:standardIn...	MHRYDJWKKUNWJY-NFSPSGFISA-N
chemicalCompound:canonicalS...	O[C@H]([C@@H](O)[C@@H](OCc1cc(F)ccc1F)C(=O)NC2[C@H](O)Cc3ccccc23)[C@@H](OCc4cc(F)ccc4F)C(=O)N[C@@H]5[C@H](O)Cc6ccccc56
chemicalCompound:molecularF...	C38 H36 F4 N2 O8
chemicalCompound:moleculeId	171176
chemicalCompound:mwFreebase	724.695
chemicalCompound:alogp	3.629
chemicalCompound:hba	8
chemicalCompound:hbd	6
chemicalCompound:psa	157.57
chemicalCompound:rtb	13
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.475
chemicalCompound:acdLogP	6.637
chemicalCompound:acdLogD	6.636
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	724.695
chemicalCompound:chemblId	CHEMBL431241
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:271176
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:636714, activity:636715, activity:636716, activity:636717, activity:636718, activity:636719