266132

Source:http://linkedlifedata.com/resource/chembl/compound/266132

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/C20H26N2O3/c1-20(2,11-10-14-6-4-3-5-7-14)22-13-18(24)15-8-9-17(23)16(12-15)19(21)25/h3-9,12,18,22-24H,10-11,13H2,1-2H3,(H2,21,25)
chemicalCompound:standardIn...	QMGWUNQCCVTZEM-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)(CCc1ccccc1)NCC(O)c2ccc(O)c(c2)C(=O)N
chemicalCompound:molecularF...	C20 H26 N2 O3
chemicalCompound:moleculeId	266132
chemicalCompound:mwFreebase	342.432
chemicalCompound:alogp	2.56
chemicalCompound:hba	4
chemicalCompound:hbd	4
chemicalCompound:psa	95.58
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.206
chemicalCompound:acdLogP	3.13
chemicalCompound:acdLogD	1.216
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	342.432
chemicalCompound:acdMostBpk...	9.343
chemicalCompound:chemblId	CHEMBL345681
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:366132
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:126598, activity:126599, activity:126600