Statements in which the resource exists as a subject.
PredicateObject
rdf:type
chemicalCompound:parent
chemicalCompound:standardIn...
InChI=1S/C13H12N2O.ClH.H2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13;;/h3-7,15H,1-2H3;1H;1H2
chemicalCompound:standardIn...
UZMFFWBTNQLUFW-UHFFFAOYSA-N
chemicalCompound:canonicalS...
O.Cl.COc1ccc2c(c1)[nH]c3c(C)nccc23
chemicalCompound:molecularF...
C13H15ClN2O2
chemicalCompound:moleculeId
444926
chemicalCompound:mwFreebase
212.247
chemicalCompound:alogp
2.438
chemicalCompound:hba
2
chemicalCompound:hbd
1
chemicalCompound:psa
37.9
chemicalCompound:rtb
1
chemicalCompound:ro3Pass
Y
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdLogP
3.054
chemicalCompound:acdLogD
1.749
chemicalCompound:molecularS...
chemicalCompound:fullMwt
266.723
chemicalCompound:acdMostBpk...
8.711
chemicalCompound:chemblId
CHEMBL486818
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