Statements in which the resource exists as a subject.
PredicateObject
rdf:type
chemicalCompound:parent
chemicalCompound:standardIn...
InChI=1S/C10H14N2.C4H6O6/c1-12-7-3-5-10(12)9-4-2-6-11-8-9;5-1(3(7)8)2(6)4(9)10/h2,4,6,8,10H,3,5,7H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t10-;1-,2-/m01/s1
chemicalCompound:standardIn...
QLDPCHZQQIASHX-LDGFUSNJSA-N
chemicalCompound:canonicalS...
CN1CCC[C@H]1c2cccnc2.O[C@H]([C@@H](O)C(=O)O)C(=O)O
chemicalCompound:molecularF...
C14H20N2O6
chemicalCompound:moleculeId
705935
chemicalCompound:mwFreebase
162.232
chemicalCompound:alogp
1.242
chemicalCompound:hba
2
chemicalCompound:hbd
0
chemicalCompound:psa
16.13
chemicalCompound:rtb
1
chemicalCompound:ro3Pass
Y
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdLogP
0.57
chemicalCompound:acdLogD
-0.617
chemicalCompound:molecularS...
chemicalCompound:fullMwt
312.318
chemicalCompound:acdMostBpk...
8
chemicalCompound:chemblId
CHEMBL1256941
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