17220

Source:http://linkedlifedata.com/resource/chembl/compound/17220

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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/C32H36N2O4/c35-27(21-34-26(15-16-30(34)37)18-23-11-5-2-6-12-23)19-25(17-22-9-3-1-4-10-22)32(38)33-31-28-14-8-7-13-24(28)20-29(31)36/h1-14,25-27,29,31,35-36H,15-21H2,(H,33,38)/t25-,26-,27-,29-,31+/m1/s1
chemicalCompound:standardIn...	VFXWXTTYUYUQCX-KJGTVYTNSA-N
chemicalCompound:canonicalS...	O[C@H](C[C@@H](Cc1ccccc1)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)CN4[C@@H](Cc5ccccc5)CCC4=O
chemicalCompound:molecularF...	C32 H36 N2 O4
chemicalCompound:moleculeId	17220
chemicalCompound:mwFreebase	512.639
chemicalCompound:alogp	4.014
chemicalCompound:hba	4
chemicalCompound:hbd	3
chemicalCompound:psa	89.87
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.65
chemicalCompound:acdLogD	4.65
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	512.639
chemicalCompound:chemblId	CHEMBL279397
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:117220
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:1164419, activity:1164420