205634

Source:http://linkedlifedata.com/resource/chembl/compound/205634

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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/C24H32N2O8/c27-13-11-25-23(31)21(33-15-17-7-3-1-4-8-17)19(29)20(30)22(24(32)26-12-14-28)34-16-18-9-5-2-6-10-18/h1-10,19-22,27-30H,11-16H2,(H,25,31)(H,26,32)/t19-,20-,21-,22-/m1/s1
chemicalCompound:standardIn...	HGRUWWMWWWJCRQ-GXRSIYKFSA-N
chemicalCompound:canonicalS...	OCCNC(=O)[C@H](OCc1ccccc1)[C@H](O)[C@@H](O)[C@@H](OCc2ccccc2)C(=O)NCCO
chemicalCompound:molecularF...	C24 H32 N2 O8
chemicalCompound:moleculeId	205634
chemicalCompound:mwFreebase	476.519
chemicalCompound:alogp	-0.624
chemicalCompound:hba	8
chemicalCompound:hbd	6
chemicalCompound:psa	157.57
chemicalCompound:rtb	15
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.562
chemicalCompound:acdLogP	3.125
chemicalCompound:acdLogD	3.124
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	476.519
chemicalCompound:chemblId	CHEMBL124214
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:305634
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:163782, activity:320851, activity:320852