138245

Source:http://linkedlifedata.com/resource/chembl/compound/138245

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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/C22H27NO5/c1-23(2)16-9-7-13-11-19(26-4)21(27-5)22(28-6)20(13)14-8-10-18(25-3)17(24)12-15(14)16/h8,10-12,16H,7,9H2,1-6H3/t16-/m0/s1
chemicalCompound:standardIn...	NDKXARFZWSQXGE-INIZCTEOSA-N
chemicalCompound:canonicalS...	COC1=CC=C2C(=CC1=O)[C@H](CCc3cc(OC)c(OC)c(OC)c23)N(C)C
chemicalCompound:molecularF...	C22 H27 N O5
chemicalCompound:moleculeId	138245
chemicalCompound:mwFreebase	385.453
chemicalCompound:alogp	2.99
chemicalCompound:hba	6
chemicalCompound:hbd	0
chemicalCompound:psa	57.23
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.49
chemicalCompound:acdLogD	0.879
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	385.453
chemicalCompound:acdMostBpk...	7.89
chemicalCompound:chemblId	CHEMBL88003
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:238245
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:753357, activity:753358, activity:753359, activity:753360, activity:1105588, activity:1105589