295227

Source:http://linkedlifedata.com/resource/chembl/compound/295227

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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/C30H36N2O8/c1-3-13-39-27(29(37)31-23-19-11-7-5-9-17(19)15-21(23)33)25(35)26(36)28(40-14-4-2)30(38)32-24-20-12-8-6-10-18(20)16-22(24)34/h3-12,21-28,33-36H,1-2,13-16H2,(H,31,37)(H,32,38)/t21-,22-,23+,24+,25-,26-,27-,28-/m1/s1
chemicalCompound:standardIn...	VFYYMZZPLBYLND-YNMRTIPJSA-N
chemicalCompound:canonicalS...	O[C@H]([C@@H](O)[C@@H](OCC=C)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)[C@@H](OCC=C)C(=O)N[C@@H]3[C@H](O)Cc4ccccc34
chemicalCompound:molecularF...	C30 H36 N2 O8
chemicalCompound:moleculeId	295227
chemicalCompound:mwFreebase	552.615
chemicalCompound:alogp	0.874
chemicalCompound:hba	8
chemicalCompound:hbd	6
chemicalCompound:psa	157.57
chemicalCompound:rtb	13
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.657
chemicalCompound:acdLogP	4.028
chemicalCompound:acdLogD	4.028
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	552.615
chemicalCompound:chemblId	CHEMBL177718
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:395227
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:834228, activity:834229, activity:834230, activity:834231, activity:1609319, activity:1609320, activity:1609321, activity:1609322