Statements in which the resource exists as a subject.
PredicateObject
rdf:type
chemicalCompound:parent
chemicalCompound:standardIn...
InChI=1S/C13H16N4O.ClH/c1-18-10-2-3-11-12(8-10)15-9-13(16-11)17-6-4-14-5-7-17;/h2-3,8-9,14H,4-7H2,1H3;1H
chemicalCompound:standardIn...
JWGHVLFYFMNVIQ-UHFFFAOYSA-N
chemicalCompound:canonicalS...
Cl.COc1ccc2nc(cnc2c1)N3CCNCC3
chemicalCompound:molecularF...
C13H17ClN4O
chemicalCompound:moleculeId
1122561
chemicalCompound:mwFreebase
244.292
chemicalCompound:alogp
1.4
chemicalCompound:hba
5
chemicalCompound:hbd
1
chemicalCompound:psa
50.28
chemicalCompound:rtb
2
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdLogP
1.161
chemicalCompound:acdLogD
0.25
chemicalCompound:molecularS...
chemicalCompound:fullMwt
280.753
chemicalCompound:acdMostBpk...
8.29
chemicalCompound:chemblId
CHEMBL1743990
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