Statements in which the resource exists as a subject.
PredicateObject
rdf:type
chemicalCompound:parent
chemicalCompound:standardIn...
InChI=1S/C15H25NO3.C4H6O6/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3;5-1(3(7)8)2(6)4(9)10/h4-7,12,14,16-17H,8-11H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)
chemicalCompound:standardIn...
WPTKISQJQVFSQI-UHFFFAOYSA-N
chemicalCompound:canonicalS...
COCCc1ccc(OCC(O)CNC(C)C)cc1.OC(C(O)C(=O)O)C(=O)O
chemicalCompound:molecularF...
C19H31NO9
chemicalCompound:moleculeId
705951
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...
chemicalCompound:fullMwt
417.451
chemicalCompound:acdMostBpk...
9.434
chemicalCompound:chemblId
CHEMBL1256957
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
chemicalCompound:chebi
chemicalCompound:moleculeTy...
chemicalCompound:oral
No
chemicalCompound:parenteral
No
chemicalCompound:topical
No
chemicalCompound:blackBoxWa...
No
chemicalCompound:naturalPro...
No
chemicalCompound:proDrug
No
chemicalCompound:activity