675867

Source:http://linkedlifedata.com/resource/chembl/compound/675867

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:8411
chemicalCompound:standardIn...	InChI=1S/C15H24N2O3.C2H2O4/c1-4-20-15(19)14-7-11-17(12-8-14)10-6-5-9-16(3)13(2)18;3-1(4)2(5)6/h14H,4,7-12H2,1-3H3;(H,3,4)(H,5,6)
chemicalCompound:standardIn...	RZUBHYIVULUWHL-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCOC(=O)C1CCN(CC#CCN(C)C(=O)C)CC1.OC(=O)C(=O)O
chemicalCompound:molecularF...	C17H26N2O7
chemicalCompound:moleculeId	675867
chemicalCompound:mwFreebase	280.363
chemicalCompound:alogp	0.985
chemicalCompound:hba	4
chemicalCompound:hbd	0
chemicalCompound:psa	49.85
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.399
chemicalCompound:acdLogD	1.347
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	370.398
chemicalCompound:acdMostBpk...	6.601
chemicalCompound:chemblId	CHEMBL1201916
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:775867
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:1041509, activity:1041510, activity:1041511, activity:1041512, activity:1041513