48716

Source:http://linkedlifedata.com/resource/chembl/compound/48716

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:48716_XK-234_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C27H34N2O3/c30-25-23(15-19-7-3-1-4-8-19)28(17-21-11-12-21)27(32)29(18-22-13-14-22)24(26(25)31)16-20-9-5-2-6-10-20/h1-10,21-26,30-31H,11-18H2/t23-,24-,25+,26+/m1/s1
chemicalCompound:standardIn...	YMTOUOZOBVYCFQ-XPGKHFPBSA-N
chemicalCompound:canonicalS...	O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(CC3CC3)C(=O)N(CC4CC4)[C@@H]1Cc5ccccc5
chemicalCompound:molecularF...	C27 H34 N2 O3
chemicalCompound:moleculeId	48716
chemicalCompound:mwFreebase	434.57
chemicalCompound:alogp	4.085
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	64.01
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	5.211
chemicalCompound:acdLogD	5.211
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	434.57
chemicalCompound:chemblId	CHEMBL431306
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:148716
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:47513, activity:47514, activity:47515, activity:47516, activity:47517, activity:47518, activity:47519, activity:47520, activity:47521, activity:63516, activity:63517, activity:63518, activity:352146, activity:352147, activity:374312, activity:374313, activity:374314, activity:374315, activity:374316, activity:374317, activity:529731