170951

Source:http://linkedlifedata.com/resource/chembl/compound/170951

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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/c39-23-9-19(10-24(40)15-23)17-51-35(37(49)43-31-27-7-3-1-5-21(27)13-29(31)45)33(47)34(48)36(52-18-20-11-25(41)16-26(42)12-20)38(50)44-32-28-8-4-2-6-22(28)14-30(32)46/h1-12,15-16,29-36,45-48H,13-14,17-18H2,(H,43,49)(H,44,50)/t29-,30-,31+,32?,33-,34-,35-,36-/m1/s1
chemicalCompound:standardIn...	JAPYKPCIFHRZGF-NFSPSGFISA-N
chemicalCompound:canonicalS...	O[C@H]([C@@H](O)[C@@H](OCc1cc(F)cc(F)c1)C(=O)NC2[C@H](O)Cc3ccccc23)[C@@H](OCc4cc(F)cc(F)c4)C(=O)N[C@@H]5[C@H](O)Cc6ccccc56
chemicalCompound:molecularF...	C38 H36 F4 N2 O8
chemicalCompound:moleculeId	170951
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...	12.485
chemicalCompound:acdLogP	6.943
chemicalCompound:acdLogD	6.942
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	724.695
chemicalCompound:chemblId	CHEMBL317690
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:270951
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:640485, activity:640486, activity:640487, activity:640488, activity:640489, activity:640490