Statements in which the resource exists as a subject.
PredicateObject
rdf:type
chemicalCompound:parent
chemicalCompound:standardIn...
InChI=1S/C12H13N5O2.ClH/c18-17(19)9-1-2-10-11(7-9)14-8-12(15-10)16-5-3-13-4-6-16;/h1-2,7-8,13H,3-6H2;1H
chemicalCompound:standardIn...
UQGWMFQWULOCBW-UHFFFAOYSA-N
chemicalCompound:canonicalS...
Cl.[O-][N+](=O)c1ccc2nc(cnc2c1)N3CCNCC3
chemicalCompound:molecularF...
C12H14ClN5O2
chemicalCompound:moleculeId
1122555
chemicalCompound:mwFreebase
259.264
chemicalCompound:alogp
1.311
chemicalCompound:hba
6
chemicalCompound:hbd
1
chemicalCompound:psa
86.87
chemicalCompound:rtb
2
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
N
chemicalCompound:acdLogP
0.716
chemicalCompound:acdLogD
-0.147
chemicalCompound:molecularS...
chemicalCompound:fullMwt
295.725
chemicalCompound:acdMostBpk...
8.232
chemicalCompound:chemblId
CHEMBL1743984
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