1051310

Source:http://linkedlifedata.com/resource/chembl/compound/1051310

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
chemicalCompound:parent	chemicalCompound:789
chemicalCompound:standardIn...	InChI=1S/2C15H25NO3/c21-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3/h24-7,12,14,16-17H,8-11H2,1-3H3
chemicalCompound:standardIn...	RAYDUSPLSJVROR-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COCCc1ccc(OCC(O)CNC(C)C)cc1.COCCc2ccc(OCC(O)CNC(C)C)cc2
chemicalCompound:molecularF...	C30H50N2O6
chemicalCompound:moleculeId	1051310
chemicalCompound:mwFreebase	267.364
chemicalCompound:alogp	1.757
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	50.72
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.891
chemicalCompound:acdLogP	1.632
chemicalCompound:acdLogD	-0.47
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	534.728
chemicalCompound:acdMostBpk...	9.434
chemicalCompound:chemblId	CHEMBL1628419
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1151310
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No