55179

Source:http://linkedlifedata.com/resource/chembl/compound/55179

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C19H21NO3/c1-23-19(22)17(14-16-10-6-3-7-11-16)20-18(21)13-12-15-8-4-2-5-9-15/h2-11,17H,12-14H2,1H3,(H,20,21)/t17-/m0/s1
chemicalCompound:standardIn...	ITMGOEJLSLAEDI-KRWDZBQOSA-N
chemicalCompound:canonicalS...	COC(=O)[C@H](Cc1ccccc1)NC(=O)CCc2ccccc2
chemicalCompound:molecularF...	C19 H21 N O3
chemicalCompound:moleculeId	55179
chemicalCompound:mwFreebase	311.375
chemicalCompound:alogp	3.276
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	55.4
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.229
chemicalCompound:acdLogD	3.229
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	311.375
chemicalCompound:chemblId	CHEMBL36438
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:155179
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:153254, activity:153255