347437

Source:http://linkedlifedata.com/resource/chembl/compound/347437

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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/C35H45N3O8/c1-23(2)19-27(36-34(43)46-35(3,4)5)31(40)37-18-12-17-26(20-37)30(39)38-28(32(41)44-21-24-13-8-6-9-14-24)29(38)33(42)45-22-25-15-10-7-11-16-25/h6-11,13-16,23,26-29H,12,17-22H2,1-5H3,(H,36,43)/t26-,27-,28-,29-/m0/s1
chemicalCompound:standardIn...	NVKGRFHLDCHWEL-DZUOILHNSA-N
chemicalCompound:canonicalS...	CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](C1)C(=O)N2[C@@H]([C@H]2C(=O)OCc3ccccc3)C(=O)OCc4ccccc4
chemicalCompound:molecularF...	C35 H45 N3 O8
chemicalCompound:moleculeId	347437
chemicalCompound:mwFreebase	635.747
chemicalCompound:alogp	4.621
chemicalCompound:hba	8
chemicalCompound:hbd	1
chemicalCompound:psa	131.32
chemicalCompound:rtb	15
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.763
chemicalCompound:acdLogP	2.614
chemicalCompound:acdLogD	2.614
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	635.747
chemicalCompound:chemblId	CHEMBL379355
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:447437
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:1716988, activity:1717039, activity:1717088, activity:1717124